4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide

C24H22ClN3O2S — CID 19355267

IUPAC4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1c(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)nn1CCc1ccccc1
InChIInChI=1S/C24H22ClN3O2S/c1-17-23(19-7-11-21(25)12-8-19)24(20-9-13-22(14-10-20)31(26,29)30)27-28(17)16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,26,29,30)
InChIKeyMUDZJMMNHPVGEL-UHFFFAOYSA-N
MW451.98 g/mol
LogP5.07
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide

4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355267) has the molecular formula C24H22ClN3O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355267
Molecular FormulaC24H22ClN3O2S
Molecular Weight451.98 g/mol
Exact Mass451.11
IUPAC Name4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1c(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)nn1CCc1ccccc1
InChIInChI=1S/C24H22ClN3O2S/c1-17-23(19-7-11-21(25)12-8-19)24(20-9-13-22(14-10-20)31(26,29)30)27-28(17)16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,26,29,30)
InChIKeyMUDZJMMNHPVGEL-UHFFFAOYSA-N
XLogP5.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.98
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide (CID 19355267) is 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide is Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)nn1CCc1ccccc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is MUDZJMMNHPVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2S/c1-17-23(19-7-11-21(25)12-8-19)24(20-9-13-22(14-10-20)31(26,29)30)27-28(17)16-15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,26,29,30).
What are the key properties of 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 451.98 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-methyl-1-(2-phenylethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).