[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol

C17H14ClNO3S — CID 66924752

IUPAC[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc(CO)c1Cl
InChIInChI=1S/C17H14ClNO3S/c18-17-14(12-20)11-16(13-7-3-1-4-8-13)19(17)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2
InChIKeyLCYRFNNLILFNAK-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.54
Rot. Bonds4

About [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol

[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol (PubChem CID 66924752) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol
PubChem CID66924752
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc(CO)c1Cl
InChIInChI=1S/C17H14ClNO3S/c18-17-14(12-20)11-16(13-7-3-1-4-8-13)19(17)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2
InChIKeyLCYRFNNLILFNAK-UHFFFAOYSA-N
XLogP3.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-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

Related Compounds

[1-(benzenesulfonyl)-2-methyl-5-thiophen-3-ylpyrrol-3-yl]methanol
CID 66924627
1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66924707
2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrole-3-carbaldehyde;1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 159938741
1-(benzenesulfonyl)-5-(4-fluorophenyl)-2,3-dimethylpyrrole
CID 66925091
ethyl 1-(benzenesulfonyl)-2-fluoro-5-phenylpyrrole-3-carboxylate
CID 66924523
N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 67662408
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
1-(benzenesulfonyl)-2,5-dibromopyrrole
CID 71523732
[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
CID 66852224

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol (CID 66924752) is [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol is O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc(CO)c1Cl.
What is the InChIKey of [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol?
The InChIKey is LCYRFNNLILFNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c18-17-14(12-20)11-16(13-7-3-1-4-8-13)19(17)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2.
What are the key properties of [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol?
[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol has a molecular weight of 347.82 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol is sourced from PubChem (CID 66924752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).