4795142
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3.732
4.732
2.732
4.5981
3.732
2.866
2.866
3.732
4.5981
2.866
4.5981
2.866
3.732
5.4641
4.5981
2.866
4.5981
6.3301
5.4641
3.732
6.3301
2.866
2
2
2.2554
2.654
2.3291
5.135
3.486
2.866
2.246
5.4641
4.0611
2.3291
5.135
6.8671
5.4641
6.8671
2.3291
3.0781
3.4766
1.4631
1.4631
2.5369
2
2
2
-2.5
3
-2.5
3.5
1
3.5
0.5
0.5
4.5
-1
3
4.5
-0.5
-0.5
3.5
5
-2
4.5
-3.5
-4
-5
3.6077
2.9174
0.81
0.81
4.5
5.12
4.5
2.38
4.81
-0.81
-0.81
3.19
5.62
4.81
-2.19
-4.0826
-3.3923
-3.69
-5.31
-5.31
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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
513
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3000400000000000000000000000000000000000306000000000000000014000001E04104000000C08C1D80432C182C00002880225525070C200102502000888990864C8082032C09591842108609600C8C9871888008E10000000000000002000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-allyl-4-[ethyl(phenyl)sulfamoyl]benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[ethyl(phenyl)sulfamoyl]-N-prop-2-enylbenzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[ethyl(phenyl)sulfamoyl]-N-prop-2-enylbenzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[ethyl(phenyl)sulfamoyl]-N-prop-2-enyl-benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-allyl-4-[ethyl(phenyl)sulfamoyl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C18H20N2O3S/c1-3-14-19-18(21)15-10-12-17(13-11-15)24(22,23)20(4-2)16-8-6-5-7-9-16/h3,5-13H,1,4,14H2,2H3,(H,19,21)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
YGVPQIPZVZRKFY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.119464
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C18H20N2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.428
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC=C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC=C
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
74.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
344.119464
24
0
0
0
0
0
0
0
1
2