(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole

C20H17ClN2O3S — CID 7407875

IUPAC(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-4-6-15(7-5-14)18-13-19(20-3-2-12-26-20)23(22-18)27(24,25)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3/t19-/m1/s1
InChIKeyMHQHJMDEDDQYAE-LJQANCHMSA-N
MW400.89 g/mol
LogP4.78
Rot. Bonds4

About (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole

(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole (PubChem CID 7407875) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
PubChem CID7407875
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-4-6-15(7-5-14)18-13-19(20-3-2-12-26-20)23(22-18)27(24,25)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3/t19-/m1/s1
InChIKeyMHQHJMDEDDQYAE-LJQANCHMSA-N
XLogP4.78
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
N-[3-[(3R)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043630
N-[2-[(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789416
(3R)-5-(4-bromophenyl)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 7118368
N-[4-[(3R)-2-acetyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]-4-chlorobenzenesulfonamide
CID 41168401
(3S)-2-(benzenesulfonyl)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazole
CID 7377538
3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 3153490
(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846237
N-[3-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 5181205
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
3-methyl-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 102531502
4-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 86807981

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole (CID 7407875) is (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole is Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1.
What is the InChIKey of (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
The InChIKey is MHQHJMDEDDQYAE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-4-6-15(7-5-14)18-13-19(20-3-2-12-26-20)23(22-18)27(24,25)17-10-8-16(21)9-11-17/h2-12,19H,13H2,1H3/t19-/m1/s1.
What are the key properties of (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole?
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole has a molecular weight of 400.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7407875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).