(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol

C12H13NO3S — CID 63748924

IUPAC(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cc[nH]c2)cc1
InChIInChI=1S/C12H13NO3S/c1-17(15,16)11-4-2-9(3-5-11)12(14)10-6-7-13-8-10/h2-8,12-14H,1H3
InChIKeyLUKWZYDBDQSLGH-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.50
Rot. Bonds3

About (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol

(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol (PubChem CID 63748924) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol
PubChem CID63748924
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cc[nH]c2)cc1
InChIInChI=1S/C12H13NO3S/c1-17(15,16)11-4-2-9(3-5-11)12(14)10-6-7-13-8-10/h2-8,12-14H,1H3
InChIKeyLUKWZYDBDQSLGH-UHFFFAOYSA-N
XLogP1.50
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 61100814
(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
CID 102842447
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
5-[hydroxy-(4-methylsulfonylphenyl)methyl]furan-2-carboxylic acid
CID 106947214
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol?
The IUPAC name of (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol (CID 63748924) is (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol?
The canonical SMILES for (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol is CS(=O)(=O)c1ccc(C(O)c2cc[nH]c2)cc1.
What is the InChIKey of (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol?
The InChIKey is LUKWZYDBDQSLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-17(15,16)11-4-2-9(3-5-11)12(14)10-6-7-13-8-10/h2-8,12-14H,1H3.
What are the key properties of (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol?
(4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol has a molecular weight of 251.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 63748924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).