N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 42284845

IUPACN-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)cc1C
InChIInChI=1S/C18H19N3O2S/c1-13-9-10-16(11-14(13)2)20-24(22,23)17-12-21(3)19-18(17)15-7-5-4-6-8-15/h4-12,20H,1-3H3
InChIKeyFBYDLXDVYDFLON-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.50
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide

N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide (PubChem CID 42284845) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
PubChem CID42284845
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)cc1C
InChIInChI=1S/C18H19N3O2S/c1-13-9-10-16(11-14(13)2)20-24(22,23)17-12-21(3)19-18(17)15-7-5-4-6-8-15/h4-12,20H,1-3H3
InChIKeyFBYDLXDVYDFLON-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284888
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
N-(3-methoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284905
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345419
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide (CID 42284845) is N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
The InChIKey is FBYDLXDVYDFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-9-10-16(11-14(13)2)20-24(22,23)17-12-21(3)19-18(17)15-7-5-4-6-8-15/h4-12,20H,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide?
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).