N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C18H19N3O2S — CID 42283357

IUPACN-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O2S/c1-13-8-7-9-14(2)18(13)20-24(22,23)17-12-21(19-15(17)3)16-10-5-4-6-11-16/h4-12,20H,1-3H3
InChIKeyMYPQVXDZMGVVPA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.60
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283357) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283357
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O2S/c1-13-8-7-9-14(2)18(13)20-24(22,23)17-12-21(19-15(17)3)16-10-5-4-6-11-16/h4-12,20H,1-3H3
InChIKeyMYPQVXDZMGVVPA-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

1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
CID 71578921
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
4-(5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 10199832
4-[[(4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-6-yl]sulfonyl]aniline
CID 11495854
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11533163
2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
CID 16666472
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454504
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454537

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283357) is N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1cn(-c2ccccc2)nc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is MYPQVXDZMGVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-8-7-9-14(2)18(13)20-24(22,23)17-12-21(19-15(17)3)16-10-5-4-6-11-16/h4-12,20H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide 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-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).