30385673
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4.5981
5.5981
3.5981
2.866
4.5981
4.5981
6.3301
2.866
3.732
4.5981
2.866
4.5981
3.732
3.732
5.4641
3.732
5.4641
2
3.732
5.4641
2
3.732
2.866
6.3301
5.4641
7.1962
7.1962
2.654
2.2554
3.9441
4.3426
3.1951
6.001
5.135
3.1951
6.001
4.0611
1.4631
4.269
1.4631
4.269
2.866
6.3301
4.9272
7.7331
7.7331
3
3
3
-1
-1
4
6
-3
-2.5
2
-4
0
-1.5
1.5
1.5
0.5
0.5
-4.5
-4.5
4.5
-5.5
-5.5
-6
4
5.5
4.5
5.5
-2.4174
-3.1077
-3.0826
-2.3923
1.81
1.81
-1.31
0.19
0.19
4.31
-4.19
-4.19
-5.81
-5.81
-6.62
3.38
5.81
4.19
5.81
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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
562
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
00000371E07B30004000000000000000000000000000000000003C608000000000000001D000001E04104000000C08C1DA043CC192C81002A80235775470C2803031122008D8393874980860F2C09191942008609400C8C8071888808E00040000000000000008000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-phenyl-N-[4-(3-pyridinylsulfamoyl)phenyl]propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-phenyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-phenyl-N-[4-(3-pyridylsulfamoyl)phenyl]propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H19N3O3S/c24-20(13-8-16-5-2-1-3-6-16)22-17-9-11-19(12-10-17)27(25,26)23-18-7-4-14-21-15-18/h1-7,9-12,14-15,23H,8,13H2,(H,22,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UWPVFAKOFGOLFE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.4
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)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CN=CC=C3
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
3