49202031
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9.7942
9.2942
10.2942
6.3301
8.9282
7.1962
3.732
8.9282
8.0622
5.4641
4.5981
10.6603
6.3301
9.7942
8.0622
3.732
9.7942
8.9282
11.5263
10.6603
2.866
12.3923
11.5263
12.3923
2
2.866
2
5.8626
5.0656
4.1996
4.9966
8.3913
7.1962
10.3312
7.5252
10.3312
8.9282
11.5263
10.1233
2.866
12.9292
11.5263
12.9292
1.4631
2.866
1.4631
0.75
1.616
-0.116
-2.25
0.25
-0.75
0.25
-0.75
-1.25
-0.75
-1.25
1.25
-1.25
-1.25
-2.25
-0.75
-2.25
-2.75
0.75
2.25
-1.25
1.25
2.75
2.25
-0.75
0.75
0.25
-0.2751
-0.2751
-1.725
-1.725
0.56
-0.13
-0.94
-2.56
-2.56
-3.37
0.13
2.56
-1.87
0.94
3.37
2.56
-1.06
1.37
0.56
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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
570
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000808C1D6043CC192C81002A80135775470C2803031022008D8393874980860F2C09191942008609400C8C8071C88808000000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(benzenesulfonamido)phenyl]-3-(2-pyridyl)propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(benzenesulfonamido)phenyl]-3-(2-pyridinyl)propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(benzenesulfonamido)phenyl]-3-pyridin-2-ylpropanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(phenylsulfonylamino)phenyl]-3-pyridin-2-yl-propanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(benzenesulfonamido)phenyl]-3-(2-pyridyl)propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H19N3O3S/c24-20(14-13-16-8-6-7-15-21-16)22-18-11-4-5-12-19(18)23-27(25,26)17-9-2-1-3-10-17/h1-12,15,23H,13-14H2,(H,22,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SCDSBCYJRWADSE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.114712
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H19N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.44816
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC(=O)CCC3=CC=CC=N3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC(=O)CCC3=CC=CC=N3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
96.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
381.114712
27
0
0
0
0
0
0
0
1
8