[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol

C12H13NO3S — CID 5096348

IUPAC[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cccc2CO)cc1
InChIInChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-8,14H,9H2,1H3
InChIKeySMJZZABNGROEKR-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.53
Rot. Bonds3

About [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol

[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol (PubChem CID 5096348) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol
PubChem CID5096348
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2cccc2CO)cc1
InChIInChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-8,14H,9H2,1H3
InChIKeySMJZZABNGROEKR-UHFFFAOYSA-N
XLogP1.53
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-methylphenyl)sulfonylpyrrol-2-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

2-Methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
(1-tosyl-1H-indol-3-yl)methanol
CID 839263
2-Ethyl-1-(Toluene-4-Sulfonyl)-1H-Pyrrole
CID 71562080
N-(4-{1-Hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]-methyl}-phenyl)-N-methyl-benzenesulfonamide
CID 10237663
2-fluoro-N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzenesulfonamide
CID 71781613
(S)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-2-pyrrolyl)-1-ethanol
CID 95982536
[4-Pyridin-4-yl-1-(toluene-4-sulfonyl)-1H-pyrrol-3-yl]-methanol
CID 479486
N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1-phenylmethanesulfonamide
CID 71781612
4-fluoro-N-[2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-methylbenzene-1-sulfonamide
CID 71781615
(S)-1-(1-methyl-2-pyrrolyl)-2-[p-(trifluoromethyl)phenylsulfonylamino]-1-ethanol
CID 95982560
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-(1-methyl-2-pyrrolyl)-1-propanol
CID 99997715
1-(1-Tosylpyrrol-3-yl)ethanol
CID 10333088

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol (CID 5096348) is [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol is Cc1ccc(S(=O)(=O)n2cccc2CO)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol?
The InChIKey is SMJZZABNGROEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-8,14H,9H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol?
[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol has a molecular weight of 251.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanol is sourced from PubChem (CID 5096348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).