(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride

C8H7ClO4S — CID 117341340

IUPAC(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride
SMILESO=Cc1ccc(O)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H7ClO4S/c9-14(12,13)5-7-3-8(11)2-1-6(7)4-10/h1-4,11H,5H2
InChIKeyQAPFXJJPSVOBKJ-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.27
Rot. Bonds3

About (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride

(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 117341340) has the molecular formula C8H7ClO4S and a molecular weight of 234.66 g/mol. Its IUPAC name is (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride
PubChem CID117341340
Molecular FormulaC8H7ClO4S
Molecular Weight234.66 g/mol
Exact Mass233.98
IUPAC Name(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride
SMILESO=Cc1ccc(O)cc1CS(=O)(=O)Cl
InChIInChI=1S/C8H7ClO4S/c9-14(12,13)5-7-3-8(11)2-1-6(7)4-10/h1-4,11H,5H2
InChIKeyQAPFXJJPSVOBKJ-UHFFFAOYSA-N
XLogP1.27
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2-formyl-5-hydroxyphenyl)methanesulfonyl 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

3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
ethane;4-hydroxyphthalaldehyde
CID 90973394
4-hydroxy-2-(piperidin-4-ylmethyl)benzaldehyde
CID 117312812
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294
(2,6-dichloro-4-hydroxyphenyl)methanesulfonyl chloride
CID 84810750
4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
CID 178140157
4-hydroxy-2-(1-hydroxy-2-methylpropan-2-yl)benzaldehyde
CID 117284471
4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
CID 117278276
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
(5-bromo-2,3-dihydroxyphenyl)methanesulfonyl chloride
CID 117485801
2-(benzenesulfonylmethyl)-4-bromobenzaldehyde
CID 132567098

Frequently Asked Questions

What is the IUPAC name of (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride (CID 117341340) is (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride is O=Cc1ccc(O)cc1CS(=O)(=O)Cl.
What is the InChIKey of (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is QAPFXJJPSVOBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4S/c9-14(12,13)5-7-3-8(11)2-1-6(7)4-10/h1-4,11H,5H2.
What are the key properties of (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride?
(2-formyl-5-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 234.66 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-5-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117341340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).