4114545
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4.5981
6.3301
8.726
5.3301
7.3301
6.3301
6.3301
4.5981
8.1424
8.1424
6.3301
5.4641
7.1962
5.4641
7.1962
4.5981
5.4641
3.732
5.4641
6.3301
3.732
2.866
2.866
2
2
6.8671
4.8535
5.252
4.9272
5.2087
4.8101
4.0611
4.9272
6.3301
2.866
2.866
1.4631
1.4631
4.5
-1.5
-3.5
-1.5
-1.5
1.5
-0.5
1.5
-2.6953
-4.3047
-2.5
0
-3
-3
-4
2.5
1
3
-4
-4.5
4
2.5
4.5
3
4
-0.19
0.1077
-0.5826
-2.69
2.3923
3.0826
1.19
-4.31
-5.12
1.88
5.12
2.69
4.31
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
572
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C073B00064000000000000000000000000016000000030600000000000005801F400001E06104000000C0AC1DE2430C1B2C00002A80325725070C200142017000898BCB876980860A281939194200C60960088C8071080000E00000000200101200000000040020240000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-chlorophenyl)methyl]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-chlorophenyl)methyl]acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-chlorophenyl)methyl]acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-chlorophenyl)methyl]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(2-chlorobenzyl)-2-(piazthiol-4-ylsulfonylamino)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C15H13ClN4O3S2/c16-11-5-2-1-4-10(11)8-17-14(21)9-18-25(22,23)13-7-3-6-12-15(13)20-24-19-12/h1-7,18H,8-9H2,(H,17,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
YQEOGUPZUVMGTD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
396.01176
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C15H13ClN4O3S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
396.87172
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)CNC(=O)CNS(=O)(=O)C2=CC=CC3=NSN=C32)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C(=C1)CNC(=O)CNS(=O)(=O)C2=CC=CC3=NSN=C32)Cl
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
138
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
396.01176
25
0
0
0
0
0
0
0
1
2