1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

C17H18N4O2S — CID 42283113

IUPAC1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C17H18N4O2S/c1-14-17(13-21(20-14)12-16-5-3-2-4-6-16)24(22,23)19-11-15-7-9-18-10-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyVILOXWJLSHYONR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.11
Rot. Bonds6

About 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 42283113) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID42283113
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C17H18N4O2S/c1-14-17(13-21(20-14)12-16-5-3-2-4-6-16)24(22,23)19-11-15-7-9-18-10-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyVILOXWJLSHYONR-UHFFFAOYSA-N
XLogP2.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(furan-2-ylmethyl)-3-methylpyrazole-4-sulfonamide
CID 42282996
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
1-benzyl-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 42283119
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
1-benzyl-3-methyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42283111
3,5-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 17375894
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031
1-benzyl-N-(4-hydroxyphenyl)-N,3-dimethylpyrazole-4-sulfonamide
CID 42283017
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (CID 42283113) is 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(Cc2ccccc2)cc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is VILOXWJLSHYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-14-17(13-21(20-14)12-16-5-3-2-4-6-16)24(22,23)19-11-15-7-9-18-10-8-15/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42283113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).