2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide

C24H22FN3O3S2 — CID 46507266

IUPAC2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3cccc(F)c3)csc2C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C24H22FN3O3S2/c1-15-8-10-20(11-9-15)27(4)33(30,31)23-21(18-6-5-7-19(25)13-18)14-32-22(23)24(29)28-17(3)12-16(2)26-28/h5-14H,1-4H3
InChIKeyMUDZAHGTHATADD-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.19
Rot. Bonds5

About 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide

2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide (PubChem CID 46507266) has the molecular formula C24H22FN3O3S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
PubChem CID46507266
Molecular FormulaC24H22FN3O3S2
Molecular Weight483.59 g/mol
Exact Mass483.11
IUPAC Name2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2c(-c3cccc(F)c3)csc2C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C24H22FN3O3S2/c1-15-8-10-20(11-9-15)27(4)33(30,31)23-21(18-6-5-7-19(25)13-18)14-32-22(23)24(29)28-17(3)12-16(2)26-28/h5-14H,1-4H3
InChIKeyMUDZAHGTHATADD-UHFFFAOYSA-N
XLogP5.19
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 30849373
N-(3-ethylphenyl)-4-(3-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 46297414
3-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(3-fluorophenyl)-4-phenylthiophene-2-carboxamide
CID 46297393
N-benzyl-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 46506918
N-(furan-2-ylmethyl)-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide
CID 42585295
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N-[2-(3,5-dimethylpyrazole-1-carbonyl)thiophen-3-yl]-N-ethyl-4-methoxybenzenesulfonamide
CID 75466292
4-fluoro-3-(3-fluorophenyl)-1-methyl-5-(4-methylphenyl)pyridin-1-ium
CID 23345711
4-[[3-(4-fluorophenyl)phenyl]sulfonyl-methylamino]benzamide
CID 68946402
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 158591459
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide (CID 46507266) is 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2c(-c3cccc(F)c3)csc2C(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is MUDZAHGTHATADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S2/c1-15-8-10-20(11-9-15)27(4)33(30,31)23-21(18-6-5-7-19(25)13-18)14-32-22(23)24(29)28-17(3)12-16(2)26-28/h5-14H,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide?
2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 483.59 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazole-1-carbonyl)-4-(3-fluorophenyl)-N-methyl-N-(4-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 46507266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).