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

C16H16N4O2S — CID 42283279

IUPAC3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-13-16(12-20(19-13)15-7-3-2-4-8-15)23(21,22)18-11-14-6-5-9-17-10-14/h2-10,12,18H,11H2,1H3
InChIKeyKVKLAYMXFAXDQF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.05
Rot. Bonds5

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

3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 42283279) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID42283279
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C16H16N4O2S/c1-13-16(12-20(19-13)15-7-3-2-4-8-15)23(21,22)18-11-14-6-5-9-17-10-14/h2-10,12,18H,11H2,1H3
InChIKeyKVKLAYMXFAXDQF-UHFFFAOYSA-N
XLogP2.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283238
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (CID 42283279) is 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is KVKLAYMXFAXDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-13-16(12-20(19-13)15-7-3-2-4-8-15)23(21,22)18-11-14-6-5-9-17-10-14/h2-10,12,18H,11H2,1H3.
What are the key properties of 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 42283279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).