4802364
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255
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7.1962
3.732
10.7404
10.7404
3.232
4.232
8.0622
6.3301
2.866
7.1962
4.5981
8.0622
8.0622
6.3301
9.7942
9.7942
5.4641
8.9282
8.9282
4.5981
7.1962
6.3301
5.4641
11.3241
2
2.866
7.1962
7.1962
5.4641
8.9282
8.9282
6.6592
4.0611
5.4641
11.7849
11.7849
2.31
1.4631
1.69
2.246
2.866
3.486
6.5762
7.1962
7.8162
3
1
-0.1953
-1.8047
1.866
0.134
1.5
-1.5
0.5
0
1.5
-0.5
-1.5
1.5
-0.5
-1.5
1
0
-2
2.5
1
2.5
3
-1
1
-0.5
-2
-3
0.38
0.62
-2.62
-0.31
2.81
3.62
-1.4147
-0.5853
1.5369
1.31
0.4631
-0.5
-1.12
-0.5
-3
-3.62
-3
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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
709
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
7
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
00000371E07B3800440000000000000000000000000120000000306000000000000048014000001E06104000000C0E81D82732CF82C004028802A5525070C208102527000888190EEEC81D263AC5B79BA431AA66D419CEEDC7BADCB3CE20420182000340004084030400068000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloranyl-5-(dimethylsulfamoyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H17ClN2O6S/c1-10(22)12-7-16-17(27-9-26-16)8-15(12)20-18(23)13-6-11(4-5-14(13)19)28(24,25)21(2)3/h4-8H,9H2,1-3H3,(H,20,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VXRQPEOAEIRGND-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
424.049585
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H17ClN2O6S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
424.85538
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)OCO2
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)Cl)OCO2
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
110
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
424.049585
28
0
0
0
0
0
0
0
1
9