5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride

C14H11ClO5S — CID 19995129

IUPAC5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H11ClO5S/c1-20-12-8-11(16)10(7-13(12)21(15,18)19)14(17)9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyDNCAADYQCAYKFF-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.56
Rot. Bonds4

About 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride (PubChem CID 19995129) has the molecular formula C14H11ClO5S and a molecular weight of 326.76 g/mol. Its IUPAC name is 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride
PubChem CID19995129
Molecular FormulaC14H11ClO5S
Molecular Weight326.76 g/mol
Exact Mass326.00
IUPAC Name5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H11ClO5S/c1-20-12-8-11(16)10(7-13(12)21(15,18)19)14(17)9-5-3-2-4-6-9/h2-8,16H,1H3
InChIKeyDNCAADYQCAYKFF-UHFFFAOYSA-N
XLogP2.56
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride 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

5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 87073687
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 19988
4-hydroxy-5-(2-hydroxybenzoyl)-2-methoxybenzenesulfonic acid
CID 20829569
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)-[bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methylperoxy]methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
CID 139830440
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
sodium 4-hydroxy-5-(2-hydroxy-4-methoxy-5-sulfobenzoyl)-2-methoxybenzenesulfonic acid
CID 18798261
5-benzoyl-4-methoxy-2-methylbenzenesulfonic acid
CID 54230664
3-benzoyl-4-hydroxybenzenesulfonyl chloride
CID 175061802
but-2-enedioic acid;[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]-phenylmethanone
CID 70542201
CID 175499515
CID 175499515
CID 172864174
CID 172864174

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride (CID 19995129) is 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride is COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride?
The InChIKey is DNCAADYQCAYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO5S/c1-20-12-8-11(16)10(7-13(12)21(15,18)19)14(17)9-5-3-2-4-6-9/h2-8,16H,1H3.
What are the key properties of 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride?
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride has a molecular weight of 326.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 19995129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).