N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide

C17H17N3O2S — CID 42283268

IUPACN-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-14-17(13-20(19-14)16-10-6-3-7-11-16)23(21,22)18-12-15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3
InChIKeyGPYOPWBFHNGYAP-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide

N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283268) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283268
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C17H17N3O2S/c1-14-17(13-20(19-14)16-10-6-3-7-11-16)23(21,22)18-12-15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3
InChIKeyGPYOPWBFHNGYAP-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283238
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
1-benzyl-3-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 42283113
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291
N-benzyl-3-methyl-1-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283152
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346
N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283333

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283268) is N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GPYOPWBFHNGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-14-17(13-20(19-14)16-10-6-3-7-11-16)23(21,22)18-12-15-8-4-2-5-9-15/h2-11,13,18H,12H2,1H3.
What are the key properties of N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).