3572905
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6.4641
3
4
2
6.4641
3
3
3
3
2
4
2.134
3.866
2.134
3
3.866
2.134
3.866
4.732
3.866
5.5981
4.732
5.5981
6.4641
7.3301
5.5981
7.3301
5.5981
6.4641
3.212
3.6106
2
1.38
2
4
4.62
4
1.824
1.597
2.444
4.403
1.597
4.403
1.597
2.4631
4.732
3.3291
6.135
4.732
7.8671
5.0611
7.8671
5.0611
6.25
-0.75
-0.75
-0.75
2.25
0.25
-4.75
-5.75
-3.75
-4.75
-4.75
-6.25
-3.25
-3.25
-1.75
-2.25
-2.25
0.75
0.25
1.75
0.75
2.25
1.75
3.25
3.75
3.75
4.75
4.75
5.25
-6.3326
-5.6423
-4.13
-4.75
-5.37
-5.37
-4.75
-4.13
-5.7131
-6.56
-6.7869
-3.56
-3.56
-1.94
-1.94
0.56
-0.37
2.06
0.44
2.87
3.44
3.44
5.06
5.06
8
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9
13
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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
594
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
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
00000371E07A30004400000000000000000000000000000000003060C0000000000000015000001E06104000000E0E81D82032C780400402800224424070C20810202700088818066E880C262285B39B823820E4D01108E807B0C0C00F906000000000000020C0000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(4-chlorophenoxy)phenyl]-4-(1,1-dimethylpropyl)benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(4-chlorophenoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(4-chlorophenoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(4-chloranylphenoxy)phenyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-tert-amyl-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H24ClNO3S/c1-4-23(2,3)17-5-15-22(16-6-17)29(26,27)25-19-9-13-21(14-10-19)28-20-11-7-18(24)8-12-20/h5-16,25H,4H2,1-3H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
POCBZGARJYXEKU-UHFFFAOYSA-N
Log P
XLogP3
7
3.0
sioc-ccbg.ac.cn
2011.09.13
7.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
429.116542
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H24ClNO3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
429.95956
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
63.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
429.116542
29
0
0
0
0
0
0
0
1
1