2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

C20H21N3O3S — CID 155556415

IUPAC2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccccc2)n(C(=O)c2ccccc2S(=O)(=O)NC(C)C)n1
InChIInChI=1S/C20H21N3O3S/c1-14(2)22-27(25,26)19-12-8-7-11-17(19)20(24)23-18(13-15(3)21-23)16-9-5-4-6-10-16/h4-14,22H,1-3H3
InChIKeyIHLULQPNWKSKNZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide

2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 155556415) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID155556415
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(-c2ccccc2)n(C(=O)c2ccccc2S(=O)(=O)NC(C)C)n1
InChIInChI=1S/C20H21N3O3S/c1-14(2)22-27(25,26)19-12-8-7-11-17(19)20(24)23-18(13-15(3)21-23)16-9-5-4-6-10-16/h4-14,22H,1-3H3
InChIKeyIHLULQPNWKSKNZ-UHFFFAOYSA-N
XLogP3.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
3-methyl-1-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9824122
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide
CID 138756830
3-Cyclopropyl-5-[[2'-(phenylcarbonylaminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 10506677
3-(3,5-dimethylpyrazol-1-yl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298781
(3,5-dimethyl-1H-pyrazol-1-yl)(4-(pyrrolidin-1-ylsulfonyl)phenyl)methanone
CID 975014
N-(2-acetylphenyl)-3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonamide
CID 1246418
4-({3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}sulfonyl)morpholine
CID 1526370
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 2109137
(3,5-Dimethylpyrazol-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2130720
N-[4-(acetylsulfamoyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354077

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 155556415) is 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is Cc1cc(-c2ccccc2)n(C(=O)c2ccccc2S(=O)(=O)NC(C)C)n1.
What is the InChIKey of 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is IHLULQPNWKSKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(2)22-27(25,26)19-12-8-7-11-17(19)20(24)23-18(13-15(3)21-23)16-9-5-4-6-10-16/h4-14,22H,1-3H3.
What are the key properties of 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide?
2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylpyrazole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 155556415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).