1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide

C19H21N3O2S — CID 42283073

IUPAC1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-14-9-15(2)11-18(10-14)21-25(23,24)19-13-22(20-16(19)3)12-17-7-5-4-6-8-17/h4-11,13,21H,12H2,1-3H3
InChIKeyJXFGOSXUEVKSLU-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.66
Rot. Bonds5

About 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide

1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide (PubChem CID 42283073) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
PubChem CID42283073
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-14-9-15(2)11-18(10-14)21-25(23,24)19-13-22(20-16(19)3)12-17-7-5-4-6-8-17/h4-11,13,21H,12H2,1-3H3
InChIKeyJXFGOSXUEVKSLU-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butylpyrazole-4-sulfonamide
CID 42284500
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
1-benzyl-N-(3-chloro-4-methylphenyl)-3-phenylpyrazole-4-sulfonamide
CID 42348788
3-methyl-5-[[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 166343459

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide (CID 42283073) is 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cn(Cc3ccccc3)nc2C)c1.
What is the InChIKey of 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide?
The InChIKey is JXFGOSXUEVKSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-9-15(2)11-18(10-14)21-25(23,24)19-13-22(20-16(19)3)12-17-7-5-4-6-8-17/h4-11,13,21H,12H2,1-3H3.
What are the key properties of 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide?
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).