2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol

C19H16N2O3S2 — CID 7150511

IUPAC2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O
InChIInChI=1S/C19H16N2O3S2/c22-18-10-5-4-9-15(18)17-13-16(19-11-6-12-25-19)20-21(17)26(23,24)14-7-2-1-3-8-14/h1-12,17,22H,13H2/t17-/m1/s1
InChIKeyCOXATANIZCLHHA-QGZVFWFLSA-N
MW384.48 g/mol
LogP3.99
Rot. Bonds4

About 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol

2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 7150511) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID7150511
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O
InChIInChI=1S/C19H16N2O3S2/c22-18-10-5-4-9-15(18)17-13-16(19-11-6-12-25-19)20-21(17)26(23,24)14-7-2-1-3-8-14/h1-12,17,22H,13H2/t17-/m1/s1
InChIKeyCOXATANIZCLHHA-QGZVFWFLSA-N
XLogP3.99
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3S)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42588958
6-[2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 17497995
[(3R)-3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 7393554
2-[(3R)-2-(4-fluorophenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 100661309
2-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenol
CID 4117831
2-[2-(benzenesulfonyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 135971401
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 42956565
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
2-(benzenesulfonyl)-3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 3703807
3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 102564153
(3R)-3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 99803096
1-(2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)ethanone
CID 4206681

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol (CID 7150511) is 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol is O=S(=O)(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O.
What is the InChIKey of 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is COXATANIZCLHHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c22-18-10-5-4-9-15(18)17-13-16(19-11-6-12-25-19)20-21(17)26(23,24)14-7-2-1-3-8-14/h1-12,17,22H,13H2/t17-/m1/s1.
What are the key properties of 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 384.48 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-(benzenesulfonyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 7150511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).