N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C23H22ClN3O4S2 — CID 119038794

About N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 119038794) has the molecular formula C23H22ClN3O4S2 and a molecular weight of 504.03 g/mol. Its IUPAC name is N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 119038794
• Molecular Formula: C23H22ClN3O4S2
• Molecular Weight: 504.03 g/mol
• Exact Mass: 503.07
• IUPAC Name: N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
• SMILES: Cc1ccccc1C1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(=O)(=O)c1cccc(Cl)c1
• InChI: InChI=1S/C23H22ClN3O4S2/c1-16-7-3-4-12-21(16)23-15-22(17-8-5-10-19(13-17)26-32(2,28)29)25-27(23)33(30,31)20-11-6-9-18(24)14-20/h3-14,23,26H,15H2,1-2H3
• InChIKey: AUABOBFAZRKNEG-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 95.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.03
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 119038794) is N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is Cc1ccccc1C1CC(c2cccc(NS(C)(=O)=O)c2)=NN1S(=O)(=O)c1cccc(Cl)c1.

What is the InChIKey of N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

The InChIKey is AUABOBFAZRKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S2/c1-16-7-3-4-12-21(16)23-15-22(17-8-5-10-19(13-17)26-32(2,28)29)25-27(23)33(30,31)20-11-6-9-18(24)14-20/h3-14,23,26H,15H2,1-2H3.

What are the key properties of N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?

N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 504.03 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(3-chlorophenyl)sulfonyl-3-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 119038794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).