3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide

C23H22ClN3O3S — CID 68832098

IUPAC3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3c(c2)c(=O)[nH]n3CCc2ccccc2)c1
InChIInChI=1S/C23H22ClN3O3S/c1-15-12-20(24)16(2)22(13-15)31(29,30)26-18-8-9-21-19(14-18)23(28)25-27(21)11-10-17-6-4-3-5-7-17/h3-9,12-14,26H,10-11H2,1-2H3,(H,25,28)
InChIKeyCOEISJNYLIXUJI-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.64
Rot. Bonds6

About 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide

3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide (PubChem CID 68832098) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
PubChem CID68832098
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3c(c2)c(=O)[nH]n3CCc2ccccc2)c1
InChIInChI=1S/C23H22ClN3O3S/c1-15-12-20(24)16(2)22(13-15)31(29,30)26-18-8-9-21-19(14-18)23(28)25-27(21)11-10-17-6-4-3-5-7-17/h3-9,12-14,26H,10-11H2,1-2H3,(H,25,28)
InChIKeyCOEISJNYLIXUJI-UHFFFAOYSA-N
XLogP4.64
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
CID 11646301
3-chloro-2-methyl-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11545651
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11517216
N-(1-benzyl-3-oxo-2H-indazol-5-yl)-3-phenoxybenzenesulfonamide
CID 11691332
2,3-dichloro-N-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-6-methylbenzenesulfonamide
CID 68838533
N-(3-chloro-4-methylphenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110421017
1-benzyl-5-(cyclopropylmethylsulfonylmethyl)-2H-indazol-3-one
CID 58324628
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
N-(1-benzyl-6-chloro-3-oxo-2H-indazol-5-yl)-3-cyanobenzenesulfonamide
CID 11568349
2,3-dichloro-N-[6-chloro-3-oxo-1-(pyridin-2-ylmethyl)-2H-indazol-5-yl]benzenesulfonamide
CID 68833285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide (CID 68832098) is 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3c(c2)c(=O)[nH]n3CCc2ccccc2)c1.
What is the InChIKey of 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide?
The InChIKey is COEISJNYLIXUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c1-15-12-20(24)16(2)22(13-15)31(29,30)26-18-8-9-21-19(14-18)23(28)25-27(21)11-10-17-6-4-3-5-7-17/h3-9,12-14,26H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide?
3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethyl-N-[3-oxo-1-(2-phenylethyl)-2H-indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 68832098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).