4198794
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2
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7
11
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18
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30
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35
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5
255
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6.3301
5.4641
7.3301
5.3301
5.9641
4.9641
6.3301
6.3301
7.1962
7.1962
6.3301
8.0622
6.3301
5.4641
7.1962
5.4641
7.1962
4.5981
8.0622
3.732
4.5981
2.866
2.866
3.732
2
7.4082
7.8067
6.9841
6.5856
5.7932
8.2742
8.6728
4.9272
7.7331
6.8671
4.9272
7.7331
8.6822
8.0622
7.4422
3.732
5.135
2.3291
3.732
1.69
1.4631
2.31
1.25
-3.25
1.25
1.25
-4.116
-2.384
2.25
-2.75
2.75
3.75
0.25
4.25
-1.75
-0.25
-0.25
-1.25
-1.25
-3.75
5.25
-3.25
-4.75
-4.75
-3.75
-5.25
-5.25
2.1674
2.8577
4.3326
3.6423
2.56
3.6674
4.3577
0.06
0.06
-3.06
-1.56
-1.56
5.25
5.87
5.25
-2.63
-5.06
-3.44
-5.87
-4.7131
-5.56
-5.7869
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
592
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3800600000000000000000000000000000000000306000000000000000014000001C04104000000C08C1580432C180400002800224424070C2001020020008889800648808202280919180200060900008C8071080000E10040000000000002008000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(butylsulfamoyl)phenyl]-4-methyl-benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(butylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(butylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(butylsulfamoyl)phenyl]-4-methyl-benzenesulfonamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(butylsulfamoyl)phenyl]-4-methyl-benzenesulfonamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C17H22N2O4S2/c1-3-4-13-18-24(20,21)16-11-7-15(8-12-16)19-25(22,23)17-9-5-14(2)6-10-17/h5-12,18-19H,3-4,13H2,1-2H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
NIUFUMLBILUKOL-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.102099
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C17H22N2O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.49758
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.102099
25
0
0
0
0
0
0
0
1
1