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

C16H16N2O3S — CID 42955399

IUPAC2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(C2CC2)CC1c1ccco1
InChIInChI=1S/C16H16N2O3S/c19-22(20,13-5-2-1-3-6-13)18-15(16-7-4-10-21-16)11-14(17-18)12-8-9-12/h1-7,10,12,15H,8-9,11H2
InChIKeyIFZOKAJVKRLPCJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.18
Rot. Bonds4

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

2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole (PubChem CID 42955399) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole
PubChem CID42955399
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(C2CC2)CC1c1ccco1
InChIInChI=1S/C16H16N2O3S/c19-22(20,13-5-2-1-3-6-13)18-15(16-7-4-10-21-16)11-14(17-18)12-8-9-12/h1-7,10,12,15H,8-9,11H2
InChIKeyIFZOKAJVKRLPCJ-UHFFFAOYSA-N
XLogP3.18
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 7407875
N-[2-[(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 95789416
N-[4-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 41168402
N-[3-[(3S)-3-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 1264833
N-[3-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 5181205
N-[3-[(3R)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41043630
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
2-(benzenesulfonyl)-5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazole
CID 71779702
3-(furan-2-yl)-2-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 127041578
(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 846208

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole (CID 42955399) is 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole is O=S(=O)(c1ccccc1)N1N=C(C2CC2)CC1c1ccco1.
What is the InChIKey of 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole?
The InChIKey is IFZOKAJVKRLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-22(20,13-5-2-1-3-6-13)18-15(16-7-4-10-21-16)11-14(17-18)12-8-9-12/h1-7,10,12,15H,8-9,11H2.
What are the key properties of 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole?
2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole has a molecular weight of 316.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-cyclopropyl-3-(furan-2-yl)-3,4-dihydropyrazole is sourced from PubChem (CID 42955399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).