1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide

C23H20ClN3O2S — CID 42348788

IUPAC1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClN3O2S/c1-17-12-13-20(14-21(17)24)26-30(28,29)22-16-27(15-18-8-4-2-5-9-18)25-23(22)19-10-6-3-7-11-19/h2-14,16,26H,15H2,1H3
InChIKeyITBNOMSAUMDMCQ-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.36
Rot. Bonds6

About 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide

1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42348788) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42348788
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H20ClN3O2S/c1-17-12-13-20(14-21(17)24)26-30(28,29)22-16-27(15-18-8-4-2-5-9-18)25-23(22)19-10-6-3-7-11-19/h2-14,16,26H,15H2,1H3
InChIKeyITBNOMSAUMDMCQ-UHFFFAOYSA-N
XLogP5.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
1-benzyl-N-tert-butyl-3-phenylpyrazole-4-sulfonamide
CID 42348254
1-benzyl-3-tert-butyl-N-(3,4-difluorophenyl)pyrazole-4-sulfonamide
CID 42284485
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-benzyl-N-(2,2-diethoxyethyl)-3-phenylpyrazole-4-sulfonamide
CID 42348312
1-benzyl-N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285100
1-benzyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285090
1-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpyrazole-4-sulfonamide
CID 42348521
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide (CID 42348788) is 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl.
What is the InChIKey of 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is ITBNOMSAUMDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-17-12-13-20(14-21(17)24)26-30(28,29)22-16-27(15-18-8-4-2-5-9-18)25-23(22)19-10-6-3-7-11-19/h2-14,16,26H,15H2,1H3.
What are the key properties of 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide?
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 437.95 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42348788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).