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

C24H35ClN4O4S — CID 170670717

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
SMILESCOC1CCC(c2nn(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H35ClN4O4S/c1-15(24(2,3)4)26-23(30)22-21(28-34(31,32)19-13-9-17(25)10-14-19)20(27-29(22)5)16-7-11-18(33-6)12-8-16/h9-10,13-16,18,28H,7-8,11-12H2,1-6H3,(H,26,30)/t15-,16?,18?/m0/s1
InChIKeyGMFYVQQZQPQHAT-HJOIGYKYSA-N
MW511.09 g/mol
LogP4.71
Rot. Bonds7

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

4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide (PubChem CID 170670717) has the molecular formula C24H35ClN4O4S and a molecular weight of 511.09 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
PubChem CID170670717
Molecular FormulaC24H35ClN4O4S
Molecular Weight511.09 g/mol
Exact Mass510.21
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
SMILESCOC1CCC(c2nn(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H35ClN4O4S/c1-15(24(2,3)4)26-23(30)22-21(28-34(31,32)19-13-9-17(25)10-14-19)20(27-29(22)5)16-7-11-18(33-6)12-8-16/h9-10,13-16,18,28H,7-8,11-12H2,1-6H3,(H,26,30)/t15-,16?,18?/m0/s1
InChIKeyGMFYVQQZQPQHAT-HJOIGYKYSA-N
XLogP4.71
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.09
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-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-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-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 170648397
4-[(4-cyclopropylphenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670681
4-[(4-cyanophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide
CID 170670720
N-tert-butyl-3-(4-methoxycyclohexyl)-N,1-dimethyl-4-[(4-methylphenyl)sulfonylamino]pyrazole-5-carboxamide
CID 171034417
4-[(4-chlorophenyl)sulfonylamino]-3-(4,4-difluorocyclohexen-1-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-1-methylpyrazole-5-carboxamide
CID 170553559
4-[(4-chlorophenyl)sulfonylamino]-3-[2-(difluoromethyl)phenyl]-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 174201921
4-[(4-chlorophenyl)sulfonylamino]-3-(4,4-difluorocyclohexen-1-yl)-N-(3,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 174203097

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide (CID 170670717) is 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide is COC1CCC(c2nn(C)c(C(=O)N[C@@H](C)C(C)(C)C)c2NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GMFYVQQZQPQHAT-HJOIGYKYSA-N. The full InChI is InChI=1S/C24H35ClN4O4S/c1-15(24(2,3)4)26-23(30)22-21(28-34(31,32)19-13-9-17(25)10-14-19)20(27-29(22)5)16-7-11-18(33-6)12-8-16/h9-10,13-16,18,28H,7-8,11-12H2,1-6H3,(H,26,30)/t15-,16?,18?/m0/s1.
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide?
4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 511.09 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(4-methoxycyclohexyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 170670717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).