2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide

C22H18ClN3O3S — CID 141187695

IUPAC2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H18ClN3O3S/c23-17-12-10-16(11-13-17)21-19(15-6-2-1-3-7-15)14-26(25-21)22(27)18-8-4-5-9-20(18)30(24,28)29/h1-13,19H,14H2,(H2,24,28,29)
InChIKeyDDDDZNWYQZXNSK-UHFFFAOYSA-N
MW439.92 g/mol
LogP3.63
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide

2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide (PubChem CID 141187695) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide
PubChem CID141187695
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H18ClN3O3S/c23-17-12-10-16(11-13-17)21-19(15-6-2-1-3-7-15)14-26(25-21)22(27)18-8-4-5-9-20(18)30(24,28)29/h1-13,19H,14H2,(H2,24,28,29)
InChIKeyDDDDZNWYQZXNSK-UHFFFAOYSA-N
XLogP3.63
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide (CID 141187695) is 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1C(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide?
The InChIKey is DDDDZNWYQZXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c23-17-12-10-16(11-13-17)21-19(15-6-2-1-3-7-15)14-26(25-21)22(27)18-8-4-5-9-20(18)30(24,28)29/h1-13,19H,14H2,(H2,24,28,29).
What are the key properties of 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide?
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide is sourced from PubChem (CID 141187695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).