750766
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1
1
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1
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1
1
1
1
1
1
1
1
1
2
5
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22
11
35
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26
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2
2
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1
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1
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1
1
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1
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1
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1
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5
255
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6.001
9.4651
5.501
6.501
2.5369
3.403
5.135
5.135
6.8671
4.269
3.403
3.403
4.269
7.7331
6.8671
5.135
4.269
5.135
2.5369
8.5991
7.7331
8.5991
4.5981
7.7331
6.3301
5.672
5.672
4.269
5.672
2.2269
2
2.8469
9.136
7.7331
2
1.5
3.5
2.366
0.634
-1.5
0
1
0
2
-1.5
-2
-3
-0.5
1.5
3
-2
-3.5
-3
-3.5
2
3.5
3
1.31
0.88
3.31
-0.31
-1.69
-4.12
-3.31
-2.9631
-3.81
-4.0369
1.69
4.12
-1.81
8
8
8
8
8
8
8
8
8
8
8
8
9
9
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10
11
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14
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21
14
15
11
16
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17
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21
18
18
22
22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
486
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0733900400000000000000000000000000000000000306000000000000000014000001F04184800000C0481D808320780620202880221521070C200102420021AA819040CC808263682951380714066E01108998798C8608E00000200000800000000040000100000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-(4-fluorophenyl)sulfonyl-2-hydroxy-3-methyl-benzohydrazide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-(4-fluorophenyl)sulfonyl-2-hydroxy-3-methylbenzohydrazide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-(4-fluorophenyl)sulfonyl-2-hydroxy-3-methylbenzohydrazide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-(4-fluorophenyl)sulfonyl-3-methyl-2-oxidanyl-benzohydrazide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N'-(4-fluorophenyl)sulfonyl-2-hydroxy-3-methyl-benzohydrazide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H13FN2O4S/c1-9-3-2-4-12(13(9)18)14(19)16-17-22(20,21)11-7-5-10(15)6-8-11/h2-8,17-18H,1H3,(H,16,19)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VCTLWEDGURTCKE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
324.058006
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H13FN2O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
324.327423
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=CC(=C1O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=CC(=C1O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
104
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
324.058006
22
0
0
0
0
0
0
0
1
21