2950007
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8
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30
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7.3564
2.7431
8.3564
6.3564
7.3564
8.1654
7.3564
6.5474
6.8564
7.8564
5.5963
7.3564
8.4442
4.8532
5.3884
6.4904
8.2224
3.9021
4.4374
8.0374
9.4387
7.3564
6.4904
8.2224
3.6942
8.6252
10.0265
9.6197
2
6.4504
6.9212
6.2499
4.9821
5.8492
5.9534
8.7594
3.4414
4.3084
7.4208
9.6909
5.9534
8.7594
8.373
10.6431
9.9842
7.8933
6.8194
2.4149
1.5392
1.5851
-3.3802
-0.0285
-3.3802
-3.3802
0.6198
1.2076
-4.3802
1.2076
2.1586
2.1586
0.8986
-0.3802
2.9676
1.5677
-0.0796
-0.8802
-0.8802
1.2587
-0.3886
3.8812
2.8631
-2.3802
-1.8802
-1.8802
0.2805
4.6902
3.6721
4.5857
0.6406
0.5952
2.7752
2.2875
2.1741
-0.4945
-0.5702
-0.5702
1.6735
-0.9951
3.946
2.2967
-2.1902
-2.1902
5.2566
3.6073
5.0873
-4.6902
-4.6902
1.1014
1.0555
0.1799
3
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
11
11
12
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22
26
27
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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
668
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
6
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B30004000000000000000000000000001000000003060C0000000000000015000001E04184000000C2CC1D80632C782000402A00324624070D20C102122001888183E6C980C26A2C4B19B84302864C811C8E80790D0E30E20040000000000004008000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]benzenesulfonamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C22H21N3O3S/c1-28-19-11-7-17(8-12-19)22-15-21(16-5-3-2-4-6-16)24-25(22)18-9-13-20(14-10-18)29(23,26)27/h2-14,22H,15H2,1H3,(H2,23,26,27)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
QBNZBMVRFYREHK-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
407.130363
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C22H21N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
407.48544
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
93.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
407.130363
29
1
0
1
0
0
0
0
1
1