2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

C19H15FN2O2S2 — CID 2916072

IUPAC2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S2/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-25-19)21-22(18)26(23,24)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyZGMLRCOUHVVZNC-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.43
Rot. Bonds4

About 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole

2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2916072) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2916072
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC Name2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESO=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S2/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-25-19)21-22(18)26(23,24)16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeyZGMLRCOUHVVZNC-UHFFFAOYSA-N
XLogP4.43
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 2952095
2-Methylsulfonyl-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2953042
5-(4-fluorophenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3294033
5-(4-bromophenyl)-1-(phenylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 2914342
3-(4-ethylphenyl)-1-(methylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazole
CID 2953135
N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2964794
N-(4-(1-(phenylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 3632527
1-(methylsulfonyl)-3-phenyl-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 4299203
5-(4-Methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 4311525
N-[3-[2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4463549
5-(2-fluorophenyl)-3-phenyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole
CID 2914785
3-(4-Methylphenyl)-2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 2916362

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2916072) is 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is O=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is ZGMLRCOUHVVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c20-15-10-8-14(9-11-15)18-13-17(19-7-4-12-25-19)21-22(18)26(23,24)16-5-2-1-3-6-16/h1-12,18H,13H2.
What are the key properties of 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole?
2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 386.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2916072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).