309650
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17
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9
8
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8
8
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6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
2
3
3
3
3
5
5
8
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11
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15
24
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33
1
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1
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5
255
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3.732
2
9.7942
9.7942
5.4641
10.7942
8.7942
7.1962
8.0622
8.9282
9.7942
8.9282
10.6603
6.3301
7.1962
9.7942
10.6603
4.5981
4.5981
3.732
3.732
2.866
2.866
8.0622
8.3913
11.1972
6.7287
5.9316
9.7942
11.1972
5.135
3.732
2.3291
2.25
1.25
0.75
1.75
-0.75
0.75
0.75
-1.75
-0.25
-0.75
-0.25
-1.75
-0.75
-0.25
-0.75
-2.25
-1.75
-0.25
0.75
-0.75
1.25
-0.25
0.75
0.37
-2.06
-0.44
0.2249
0.2249
-2.87
-2.06
1.06
-1.37
-0.56
8
8
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
513
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C0723900460000000000000000000000000000000000306000000000000000014000001E0610000400080EA1D02230C782C00402880025525072C20800212700088A5C466E880E2622C5B39F873828E4D411D8E8079040000000200001000001040040000200000208000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl fluoride
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[[2-(3,4-dichlorophenoxy)-1-oxoethyl]amino]benzenesulfonyl fluoride
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl fluoride
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[2-[3,4-bis(chloranyl)phenoxy]ethanoylamino]benzenesulfonyl fluoride
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl fluoride
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C14H10Cl2FNO4S/c15-10-6-5-9(7-11(10)16)22-8-14(19)18-12-3-1-2-4-13(12)23(17,20)21/h1-7H,8H2,(H,18,19)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
MHGYYXHIAVJHPP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
376.969162
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C14H10Cl2FNO4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
378.202903
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)NC(=O)COC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)F
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C(=C1)NC(=O)COC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)F
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
80.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
376.969162
23
0
0
0
0
0
0
0
1
3