N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide

C25H20ClN3O3S — CID 164625286

IUPACN-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
SMILESO=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20ClN3O3S/c26-19-6-8-20(9-7-19)28-33(31,32)22-12-10-21(11-13-22)29-24-14-18(17-4-2-1-3-5-17)15-25(30)23(24)16-27-29/h1-13,16,18,28H,14-15H2
InChIKeyWIOLNEFDVVHGCD-UHFFFAOYSA-N
MW477.97 g/mol
LogP5.24
Rot. Bonds5

About N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide

N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide (PubChem CID 164625286) has the molecular formula C25H20ClN3O3S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
PubChem CID164625286
Molecular FormulaC25H20ClN3O3S
Molecular Weight477.97 g/mol
Exact Mass477.09
IUPAC NameN-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
SMILESO=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H20ClN3O3S/c26-19-6-8-20(9-7-19)28-33(31,32)22-12-10-21(11-13-22)29-24-14-18(17-4-2-1-3-5-17)15-25(30)23(24)16-27-29/h1-13,16,18,28H,14-15H2
InChIKeyWIOLNEFDVVHGCD-UHFFFAOYSA-N
XLogP5.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1,6-bis(4-chlorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 40917572
6-(4-chlorophenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228221
(6S)-1-(4-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634319
N-(4-methoxyphenyl)-4-(4-oxo-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide
CID 164626870
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66505994
8-(4-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506064
4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714521
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide (CID 164625286) is N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide is O=C1CC(c2ccccc2)Cc2c1cnn2-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
The InChIKey is WIOLNEFDVVHGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3S/c26-19-6-8-20(9-7-19)28-33(31,32)22-12-10-21(11-13-22)29-24-14-18(17-4-2-1-3-5-17)15-25(30)23(24)16-27-29/h1-13,16,18,28H,14-15H2.
What are the key properties of N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide?
N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide has a molecular weight of 477.97 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-oxo-6-phenyl-6,7-dihydro-5H-indazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 164625286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).