[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol

C16H15NO3S2 — CID 66924627

IUPAC[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccsc2)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S2/c1-12-14(10-18)9-16(13-7-8-21-11-13)17(12)22(19,20)15-5-3-2-4-6-15/h2-9,11,18H,10H2,1H3
InChIKeyCDRXFKIEXGVCMW-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.25
Rot. Bonds4

About [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol

[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol (PubChem CID 66924627) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol
PubChem CID66924627
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol
SMILESCc1c(CO)cc(-c2ccsc2)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H15NO3S2/c1-12-14(10-18)9-16(13-7-8-21-11-13)17(12)22(19,20)15-5-3-2-4-6-15/h2-9,11,18H,10H2,1H3
InChIKeyCDRXFKIEXGVCMW-UHFFFAOYSA-N
XLogP3.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol (CID 66924627) is [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol is Cc1c(CO)cc(-c2ccsc2)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol?
The InChIKey is CDRXFKIEXGVCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-12-14(10-18)9-16(13-7-8-21-11-13)17(12)22(19,20)15-5-3-2-4-6-15/h2-9,11,18H,10H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol?
[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol has a molecular weight of 333.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol is sourced from PubChem (CID 66924627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).