4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C23H26ClFN4O3S — CID 174206873

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C
InChIInChI=1S/C23H26ClFN4O3S/c1-14(23(2,3)4)26-22(30)21-20(28-33(31,32)18-12-8-16(24)9-13-18)19(27-29(21)5)15-6-10-17(25)11-7-15/h6-14,28H,1-5H3,(H,26,30)
InChIKeyPNCJKVIWBPYCND-UHFFFAOYSA-N
MW493.00 g/mol
LogP4.84
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 174206873) has the molecular formula C23H26ClFN4O3S and a molecular weight of 493.00 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID174206873
Molecular FormulaC23H26ClFN4O3S
Molecular Weight493.00 g/mol
Exact Mass492.14
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C
InChIInChI=1S/C23H26ClFN4O3S/c1-14(23(2,3)4)26-22(30)21-20(28-33(31,32)18-12-8-16(24)9-13-18)19(27-29(21)5)15-6-10-17(25)11-7-15/h6-14,28H,1-5H3,(H,26,30)
InChIKeyPNCJKVIWBPYCND-UHFFFAOYSA-N
XLogP4.84
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.00
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 170553534
4-[(4-cyano-2-fluorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 170553547
4-[(4-chlorophenyl)sulfonylamino]-3-(4,4-difluorocyclohexyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrazole-5-carboxamide
CID 170553567
4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrazole-5-carboxamide
CID 170553571
4-[(4-cyanophenyl)sulfonylamino]-3-(4,4-difluorocyclohexyl)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrazole-5-carboxamide
CID 170648383
4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 170648386
1-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-5-carboxamide
CID 155542117
3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
CID 152790957
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexen-1-yl)-1-methylpyrazole-5-carboxamide
CID 170553528
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 170553529
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670717
Pyrazolo(4,3-c)(1,2)benzothiazine-3-carboxamide, 1,4-dihydro-1-(p-chlorophenyl)-N-(3-(cyclohexylamino)propyl)-4-methyl-, 5,5-dioxide
CID 3067601

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 174206873) is 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)nn1C)C(C)(C)C.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is PNCJKVIWBPYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O3S/c1-14(23(2,3)4)26-22(30)21-20(28-33(31,32)18-12-8-16(24)9-13-18)19(27-29(21)5)15-6-10-17(25)11-7-15/h6-14,28H,1-5H3,(H,26,30).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 493.00 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 174206873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).