2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole

C23H20ClFN2O4S — CID 23742020

IUPAC2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C23H20ClFN2O4S/c1-30-22-12-5-16(13-23(22)31-2)20-14-21(15-3-8-18(25)9-4-15)27(26-20)32(28,29)19-10-6-17(24)7-11-19/h3-13,21H,14H2,1-2H3
InChIKeyFGZSMQIKWMIVDU-UHFFFAOYSA-N
MW474.94 g/mol
LogP5.04
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole

2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 23742020) has the molecular formula C23H20ClFN2O4S and a molecular weight of 474.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
PubChem CID23742020
Molecular FormulaC23H20ClFN2O4S
Molecular Weight474.94 g/mol
Exact Mass474.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C23H20ClFN2O4S/c1-30-22-12-5-16(13-23(22)31-2)20-14-21(15-3-8-18(25)9-4-15)27(26-20)32(28,29)19-10-6-17(24)7-11-19/h3-13,21H,14H2,1-2H3
InChIKeyFGZSMQIKWMIVDU-UHFFFAOYSA-N
XLogP5.04
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 23800160
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3313964
(3R)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 41056967
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
(3S)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)-3,4-dihydropyrazole
CID 100654898
3-(2,5-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 3704662
(3S)-5-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 124884753
N-[4-[(3R)-3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41049255
5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole
CID 11841107
N-[4-[3-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 3452935
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
8-[2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-7-methoxychromen-2-one
CID 71574879

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole (CID 23742020) is 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)C(c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is FGZSMQIKWMIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O4S/c1-30-22-12-5-16(13-23(22)31-2)20-14-21(15-3-8-18(25)9-4-15)27(26-20)32(28,29)19-10-6-17(24)7-11-19/h3-13,21H,14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole?
2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 474.94 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 23742020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).