2837695
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255
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5.6622
6.6622
4.6622
5.6622
6.4712
5.6622
4.8532
5.1622
6.1622
3.9021
5.6622
6.75
3.159
3.6942
4.7962
6.5282
7.7445
6.3432
5.6622
4.7962
6.5282
2.2079
2.7431
2
8.3323
6.931
7.9255
4.7562
5.227
4.5557
3.2879
4.155
4.2592
7.0652
7.9967
5.7266
4.2592
7.0652
1.7472
2.6142
1.4103
8.9489
6.6788
8.29
6.1991
5.1252
-3.3802
-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
2.8631
3.8812
-2.3802
-1.8802
-1.8802
1.2587
-0.3886
0.2805
3.6721
4.6902
4.5857
0.5952
2.7752
2.2875
2.1741
-0.4945
-0.5702
-0.5702
2.2967
3.946
-2.1902
-2.1902
1.6735
-0.9951
0.0889
3.6073
5.2566
5.0873
-4.6902
-4.6902
3
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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
622
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30004000000000000000000000000001000000003060C0000000000000015000001C04184000000C28C1580430C182000002A00324624070D204102102001888183864980820A2C09191842008608800C8C8071080C00E00040000000000000008000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-(3,5-diphenyl-2-pyrazolin-1-yl)benzenesulfonamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C21H19N3O2S/c22-27(25,26)19-13-11-18(12-14-19)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H2,22,25,26)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
OPPCVEVPKHRJNY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
377.119798
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C21H19N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
377.45946
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
84.1
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
377.119798
27
1
0
1
0
0
0
0
1
1