[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol

C12H12O3S2 — CID 20648938

IUPAC[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol
SMILESCc1c(S(=O)(=O)c2ccccc2)csc1CO
InChIInChI=1S/C12H12O3S2/c1-9-11(7-13)16-8-12(9)17(14,15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3
InChIKeyWLHNSHYEAZCHSL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.38
Rot. Bonds3

About [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol

[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol (PubChem CID 20648938) has the molecular formula C12H12O3S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol
PubChem CID20648938
Molecular FormulaC12H12O3S2
Molecular Weight268.36 g/mol
Exact Mass268.02
IUPAC Name[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol
SMILESCc1c(S(=O)(=O)c2ccccc2)csc1CO
InChIInChI=1S/C12H12O3S2/c1-9-11(7-13)16-8-12(9)17(14,15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3
InChIKeyWLHNSHYEAZCHSL-UHFFFAOYSA-N
XLogP2.38
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-4-methylthiophene
CID 1211761
5-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694
5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
CID 101301695
1,2-bis(benzenesulfonyl)benzene
CID 19980733
3-amino-4-(benzenesulfonyl)thiophene-2-carboxylic acid
CID 2778522
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
4-benzylsulfonyl-2-ethyl-3-methoxythiophene
CID 67151964
[3-(benzenesulfonyl)-4-phosphanyloxyphenyl]methanol
CID 142168175
1-(benzenesulfonyl)-3-bromo-2,4-dimethylbenzene
CID 57430787
3-(benzenesulfonyl)thiophene-2-carboxylic acid
CID 658001

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol?
The IUPAC name of [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol (CID 20648938) is [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol.
What is the SMILES notation for [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol?
The canonical SMILES for [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol is Cc1c(S(=O)(=O)c2ccccc2)csc1CO.
What is the InChIKey of [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol?
The InChIKey is WLHNSHYEAZCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S2/c1-9-11(7-13)16-8-12(9)17(14,15)10-5-3-2-4-6-10/h2-6,8,13H,7H2,1H3.
What are the key properties of [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol?
[4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol has a molecular weight of 268.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)-3-methylthiophen-2-yl]methanol is sourced from PubChem (CID 20648938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).