4160501
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5
255
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2.866
2.866
5.4641
4.5981
6.4641
4.4641
5.0981
4.0981
5.4641
5.4641
6.3301
6.3301
5.4641
5.4641
7.1962
4.5981
6.3301
4.5981
6.3301
3.732
8.0622
7.1962
2.866
3.732
8.9282
8.0622
8.9282
2.866
2
2
6.5422
6.9407
6.1181
5.7196
4.9272
4.0611
6.8671
4.0611
6.8671
6.001
8.0622
6.6592
4.269
9.4651
8.0622
9.4651
1.4631
1.4631
-2
-6
1.5
-3
1.5
1.5
-3.866
-2.134
2.5
-2.5
3
4
0.5
-1.5
4.5
0
0
-1
-1
-3.5
4
5.5
-3
-4.5
4.5
6
5.5
-5
-3.5
-4.5
2.4174
3.1077
4.5826
3.8923
2.81
0.31
0.31
-1.31
-1.31
-2.81
3.38
5.81
-4.81
4.19
6.62
5.81
-3.19
-4.81
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
738
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
00000371E07B38006600000000000000000000000000000000003060C0000000000000015000001C06104000000C0AC1582430C180400002800224424070C2001020070008889800668808202281939180200060900008C8071080800E00041000100000800008200020000100000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,5-dichloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,5-dichloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzenesulfonamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,5-dichloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzenesulfonamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,5-bis(chloranyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzenesulfonamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2,5-dichloro-N-[4-(phenethylsulfamoyl)phenyl]benzenesulfonamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H18Cl2N2O4S2/c21-16-6-11-19(22)20(14-16)30(27,28)24-17-7-9-18(10-8-17)29(25,26)23-13-12-15-4-2-1-3-5-15/h1-11,14,23-24H,12-13H2
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ZVNVOHJGUNJDAX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
484.008504
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H18Cl2N2O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
485.40392
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
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
484.008504
30
0
0
0
0
0
0
0
1
1