2963529
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9
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255
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4.5981
5.5981
3.5981
2.866
8.0622
2.866
2
4.5981
2.866
3.732
4.5981
5.4641
3.732
3.732
5.4641
6.3301
5.4641
3.732
3.732
5.4641
7.1962
6.3301
7.1962
4.5981
2.866
4.5981
2.866
4.5981
8.9282
3.1951
6.001
6.3301
4.9272
6.001
7.7331
6.3301
4.5981
2.3291
5.135
2.3291
5.135
8.6182
9.4651
9.2382
-0.25
-0.25
-0.25
0.75
2.75
-4.25
-2.75
0.75
-3.25
4.25
-1.25
1.25
1.25
-1.75
-1.75
0.75
2.25
2.25
-2.75
-2.75
1.25
2.75
2.25
-3.25
2.75
2.75
3.75
3.75
2.25
-1.44
-1.44
0.13
2.56
-3.06
0.94
3.37
-3.87
2.44
2.44
4.06
4.06
1.7131
1.94
2.7869
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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
675
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
0
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
00000371C07B38004000000000000000000000000000000000003C608000000000000001D000001E04044000000C0CC1DA063EC792185402A90235775770C2883035222028D8393E6CDA0C2672C4B59B84312C64C411C8E987B440000A00400000200000000080000040000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-N-(3-nitrophenyl)sulfonyl-pyridine-4-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-N-(3-nitrophenyl)sulfonyl-4-pyridinecarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-N-(3-nitrophenyl)sulfonylpyridine-4-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-N-(3-nitrophenyl)sulfonyl-pyridine-4-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-(4-methoxyphenyl)-N-(3-nitrophenyl)sulfonyl-isonicotinamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H15N3O6S/c1-28-17-7-5-15(6-8-17)21(19(23)14-9-11-20-12-10-14)29(26,27)18-4-2-3-16(13-18)22(24)25/h2-13H,1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
VYUFZVUZSDPXEL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
413.068156
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H15N3O6S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
413.4039
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)N(C(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
131
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
413.068156
29
0
0
0
0
0
0
0
1
1