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5.4641
5.4641
8.181
8.3546
4.9641
5.9641
6.3301
7.1962
9.1658
8.0073
7.1962
9.8086
8.7734
9.5078
7.0676
6.3301
8.0622
4.5981
10.7934
8.5997
10.4926
6.894
6.3301
8.0622
3.732
4.5981
11.1354
7.66
7.1962
2.866
3.732
2.866
2
7.3038
6.1181
9.5965
9.356
9.1093
6.5927
5.7932
8.5991
11.1919
9.0747
10.7046
6.3114
8.5991
3.732
5.135
11.746
7.5524
7.1962
2.3291
3.732
1.69
1.4631
2.31
-3.064
-0.064
0.1096
-0.8752
0.802
-0.9301
0.436
-0.064
0.2833
1.0944
-1.064
-0.4828
1.7372
1.223
1.4364
-1.564
-1.564
-0.564
-0.3091
2.722
1.3966
2.4212
-2.564
-2.564
-0.064
-1.564
0.6306
3.064
-3.064
-0.564
-2.064
-1.564
-2.064
0.5465
1.0186
-1.0654
1.5252
1.6979
1.0379
-1.254
-1.254
-0.7841
3.1205
1.9792
2.6333
-2.874
0.556
-1.874
0.7382
3.6746
-3.684
-0.254
-2.684
-1.5271
-2.374
-2.601
3
8
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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
743
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
00000371E07A30024010000000000000000000000000000000003060C1800000000000015400001C0C50402001AC00C95804320180400022804220420070C200102000040888980004A8082022809111802000608000088A171080000E10000010000000002000002000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(3-bromophenyl)-diphenylphosphoryl-methyl]-4-methyl-benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(3-bromophenyl)-diphenylphosphorylmethyl]-4-methylbenzenesulfonamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(3-bromophenyl)-diphenylphosphorylmethyl]-4-methylbenzenesulfonamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(3-bromophenyl)-diphenylphosphoryl-methyl]-4-methyl-benzenesulfonamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[(3-bromophenyl)-diphenylphosphoryl-methyl]-4-methyl-benzenesulfonamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C26H23BrNO3PS/c1-20-15-17-25(18-16-20)33(30,31)28-26(21-9-8-10-22(27)19-21)32(29,23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-19,26,28H,1H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
RBCBBERFEVSHOP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
5.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
539.031963
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C26H23BrNO3PS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
540.408482
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)Br)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=CC=C2)Br)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
71.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
539.031963
33
1
0
1
0
0
0
0
1
1