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

C24H27ClF2N4O3S — CID 174201921

IUPAC4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2C(F)F)nn1C)C(C)(C)C
InChIInChI=1S/C24H27ClF2N4O3S/c1-14(24(2,3)4)28-23(32)21-20(30-35(33,34)16-12-10-15(25)11-13-16)19(29-31(21)5)17-8-6-7-9-18(17)22(26)27/h6-14,22,30H,1-5H3,(H,28,32)
InChIKeyMCTZISTUFQPYRN-UHFFFAOYSA-N
MW525.02 g/mol
LogP5.64
Rot. Bonds7

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

4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 174201921) has the molecular formula C24H27ClF2N4O3S and a molecular weight of 525.02 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID174201921
Molecular FormulaC24H27ClF2N4O3S
Molecular Weight525.02 g/mol
Exact Mass524.15
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2C(F)F)nn1C)C(C)(C)C
InChIInChI=1S/C24H27ClF2N4O3S/c1-14(24(2,3)4)28-23(32)21-20(30-35(33,34)16-12-10-15(25)11-13-16)19(29-31(21)5)17-8-6-7-9-18(17)22(26)27/h6-14,22,30H,1-5H3,(H,28,32)
InChIKeyMCTZISTUFQPYRN-UHFFFAOYSA-N
XLogP5.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.02
LogP ≤ 55.64
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
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
4-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 170553523
4-[(4-cyanophenyl)sulfonylamino]-3-(4,4-difluorocyclohexen-1-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrazole-5-carboxamide
CID 170648385
N-(3-aminophenyl)sulfonyl-5-tert-butyl-2-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 121251338

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide (CID 174201921) is 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide is CC(NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2C(F)F)nn1C)C(C)(C)C.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is MCTZISTUFQPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N4O3S/c1-14(24(2,3)4)28-23(32)21-20(30-35(33,34)16-12-10-15(25)11-13-16)19(29-31(21)5)17-8-6-7-9-18(17)22(26)27/h6-14,22,30H,1-5H3,(H,28,32).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 525.02 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 174201921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).