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4.5981
5.5981
3.5981
3.732
4.5981
5.4641
5.4641
3.732
3.732
3.732
4.5981
6.3301
6.3301
2.866
4.5981
2.866
4.5981
2
2
7.2241
7.2241
5.4641
8.1301
8.1301
3.732
5.4641
4.5981
5.135
2.866
2.866
5.4641
1.4631
1.4631
7.2169
7.2169
6.001
8.6659
8.6659
3.1951
6.001
4.5981
1.06
1.06
1.06
-3.44
0.06
-3.44
-1.44
3.56
-1.44
-0.44
-1.94
-2.94
-1.94
-1.94
-2.94
0.06
2.06
-1.44
-0.44
-3.4747
-1.4053
2.56
-2.9608
-1.9192
2.56
3.56
4.06
-0.25
-2.56
0.68
-4.06
-1.75
-0.13
-4.0946
-0.7854
2.25
-3.2729
-1.6071
2.25
3.87
4.68
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
688
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07BB0004000000000000000000000000000000000003C608100000000000081D000001E04104000000C08C1DA043CC192C81002A80335775470C2803031022008D83D3874980860F2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-3-sulfonamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-3-pyridinesulfonamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-3-sulfonamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]pyridine-3-sulfonamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]pyridine-3-sulfonamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H14N4O3S/c24-19-18(21-16-9-3-4-10-17(16)22-19)14-7-1-2-8-15(14)23-27(25,26)13-6-5-11-20-12-13/h1-12,23H,(H,22,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
AOQIPVQESSGBKO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
1.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
378.078661
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H14N4O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
378.40446
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CN=CC=C4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NS(=O)(=O)C4=CN=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
378.078661
27
0
0
0
0
0
0
0
1
8