(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide

C24H19ClF3N3O3S — CID 156880598

IUPAC(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide
SMILESC[C@]1(c2ccccc2)CN(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClF3N3O3S/c1-23(17-5-3-2-4-6-17)15-31(29-21(23)16-7-11-19(25)12-8-16)22(32)30-35(33,34)20-13-9-18(10-14-20)24(26,27)28/h2-14H,15H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyDRSZYKCERFMBNH-HSZRJFAPSA-N
MW521.95 g/mol
LogP5.43
Rot. Bonds4

About (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide

(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide (PubChem CID 156880598) has the molecular formula C24H19ClF3N3O3S and a molecular weight of 521.95 g/mol. Its IUPAC name is (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide
PubChem CID156880598
Molecular FormulaC24H19ClF3N3O3S
Molecular Weight521.95 g/mol
Exact Mass521.08
IUPAC Name(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide
SMILESC[C@]1(c2ccccc2)CN(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClF3N3O3S/c1-23(17-5-3-2-4-6-17)15-31(29-21(23)16-7-11-19(25)12-8-16)22(32)30-35(33,34)20-13-9-18(10-14-20)24(26,27)28/h2-14H,15H2,1H3,(H,30,32)/t23-/m1/s1
InChIKeyDRSZYKCERFMBNH-HSZRJFAPSA-N
XLogP5.43
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.95
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide?
The IUPAC name of (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide (CID 156880598) is (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide.
What is the SMILES notation for (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide?
The canonical SMILES for (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide is C[C@]1(c2ccccc2)CN(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide?
The InChIKey is DRSZYKCERFMBNH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3S/c1-23(17-5-3-2-4-6-17)15-31(29-21(23)16-7-11-19(25)12-8-16)22(32)30-35(33,34)20-13-9-18(10-14-20)24(26,27)28/h2-14H,15H2,1H3,(H,30,32)/t23-/m1/s1.
What are the key properties of (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide?
(4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide has a molecular weight of 521.95 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(4-chlorophenyl)-4-methyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 156880598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).