N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide

C18H19N3O2S — CID 25342658

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-13-9-11-16(12-10-13)21-15(3)18(14(2)19-21)20-24(22,23)17-7-5-4-6-8-17/h4-12,20H,1-3H3
InChIKeyKJPRGUNOVIBELD-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.60
Rot. Bonds4

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 25342658) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID25342658
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C18H19N3O2S/c1-13-9-11-16(12-10-13)21-15(3)18(14(2)19-21)20-24(22,23)17-7-5-4-6-8-17/h4-12,20H,1-3H3
InChIKeyKJPRGUNOVIBELD-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
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-[(4-methylphenyl)sulfamoyl]benzamide
CID 99164246
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
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
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24667508
2,4-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methylbenzenesulfonamide
CID 166336393
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 25342534
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide (CID 25342658) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide is Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccccc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is KJPRGUNOVIBELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-9-11-16(12-10-13)21-15(3)18(14(2)19-21)20-24(22,23)17-7-5-4-6-8-17/h4-12,20H,1-3H3.
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.60, 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-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 25342658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).