(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

C15H16N2O2S2 — CID 124740412

IUPAC(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C15H16N2O2S2/c1-11-5-3-6-12(9-11)13-10-14(15-7-4-8-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3/t14-/m0/s1
InChIKeyURTQXARGKQOFGX-AWEZNQCLSA-N
MW320.44 g/mol
LogP3.17
Rot. Bonds3

About (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 124740412) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID124740412
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C15H16N2O2S2/c1-11-5-3-6-12(9-11)13-10-14(15-7-4-8-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3/t14-/m0/s1
InChIKeyURTQXARGKQOFGX-AWEZNQCLSA-N
XLogP3.17
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5-(4-chlorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 949479
5-(4-chloro-3-fluorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 72716837
5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 52502986
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
(3R)-3-(3-methylphenyl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
CID 97072215
N-[3-[2-(4-fluorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4569416
6-chloro-3-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-4-phenyl-6H-quinolin-2-one
CID 156591367
N-[3-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043587
2-methylsulfonyl-3,5-diphenyl-3,4-dihydropyrazole
CID 2953116
N-[3-[2-(3-chlorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 91653519
N-[3-[(3S)-2-(3-chlorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 99801364

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 124740412) is (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is Cc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)c1.
What is the InChIKey of (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is URTQXARGKQOFGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11-5-3-6-12(9-11)13-10-14(15-7-4-8-20-15)17(16-13)21(2,18)19/h3-9,14H,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 320.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 124740412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).