2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol

C16H14N2O3S — CID 46849202

IUPAC2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol
SMILESCn1c(-c2ccccc2O)cnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O3S/c1-18-14(13-9-5-6-10-15(13)19)11-17-16(18)22(20,21)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyZBUVODURGKCABV-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.63
Rot. Bonds3

About 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol

2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol (PubChem CID 46849202) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol
PubChem CID46849202
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol
SMILESCn1c(-c2ccccc2O)cnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O3S/c1-18-14(13-9-5-6-10-15(13)19)11-17-16(18)22(20,21)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyZBUVODURGKCABV-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol?
The IUPAC name of 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol (CID 46849202) is 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol is Cn1c(-c2ccccc2O)cnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol?
The InChIKey is ZBUVODURGKCABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-18-14(13-9-5-6-10-15(13)19)11-17-16(18)22(20,21)12-7-3-2-4-8-12/h2-11,19H,1H3.
What are the key properties of 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol?
2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol has a molecular weight of 314.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3-methylimidazol-4-yl]phenol is sourced from PubChem (CID 46849202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).