2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole

C20H18N2O4S — CID 71779702

IUPAC2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1cccc(C2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c1-25-16-8-5-7-15(13-16)19-14-18(20-11-6-12-26-20)21-22(19)27(23,24)17-9-3-2-4-10-17/h2-13,19H,14H2,1H3
InChIKeyKAAQWKPSMJIPKK-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.83
Rot. Bonds5

About 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole

2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 71779702) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID71779702
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1cccc(C2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O4S/c1-25-16-8-5-7-15(13-16)19-14-18(20-11-6-12-26-20)21-22(19)27(23,24)17-9-3-2-4-10-17/h2-13,19H,14H2,1H3
InChIKeyKAAQWKPSMJIPKK-UHFFFAOYSA-N
XLogP3.83
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)-3,4-dihydropyrazole
CID 100654898
3,5-bis(3-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 122155650
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842
(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 95975634
5-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119040927
N-[3-[(3R)-3-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543179
(3R)-3-(3,4-dichlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 99801488
(3R)-2-(benzenesulfonyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 41056967
N-[4-[(3R)-2-(4-fluorophenyl)sulfonyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 96543097
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 4963246
(3R)-5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazole
CID 1121415
(3R)-2-(benzenesulfonyl)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120950

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole (CID 71779702) is 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole is COc1cccc(C2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is KAAQWKPSMJIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-16-8-5-7-15(13-16)19-14-18(20-11-6-12-26-20)21-22(19)27(23,24)17-9-3-2-4-10-17/h2-13,19H,14H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole?
2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 382.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 71779702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).