N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide

C17H17N3O2S — CID 972247

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-13-17(19-23(21,22)16-11-7-4-8-12-16)14(2)20(18-13)15-9-5-3-6-10-15/h3-12,19H,1-2H3
InChIKeyKOZMWQBQHVMFDI-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.29
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide (PubChem CID 972247) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
PubChem CID972247
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-13-17(19-23(21,22)16-11-7-4-8-12-16)14(2)20(18-13)15-9-5-3-6-10-15/h3-12,19H,1-2H3
InChIKeyKOZMWQBQHVMFDI-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
3,5-dimethyl-N-[4-(methylsulfamoyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 22203263
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 99164246
4-(benzenesulfonamido)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134034027
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide (CID 972247) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is KOZMWQBQHVMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-13-17(19-23(21,22)16-11-7-4-8-12-16)14(2)20(18-13)15-9-5-3-6-10-15/h3-12,19H,1-2H3.
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 972247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).