(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride

C9H8ClNO4S — CID 117408990

IUPAC(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)c(C#N)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H8ClNO4S/c1-15-9-3-8(12)6(4-11)2-7(9)5-16(10,13)14/h2-3,12H,5H2,1H3
InChIKeyKDSMWTKNGXUGEN-UHFFFAOYSA-N
MW261.69 g/mol
LogP1.34
Rot. Bonds3

About (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride

(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride (PubChem CID 117408990) has the molecular formula C9H8ClNO4S and a molecular weight of 261.69 g/mol. Its IUPAC name is (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
PubChem CID117408990
Molecular FormulaC9H8ClNO4S
Molecular Weight261.69 g/mol
Exact Mass260.99
IUPAC Name(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1cc(O)c(C#N)cc1CS(=O)(=O)Cl
InChIInChI=1S/C9H8ClNO4S/c1-15-9-3-8(12)6(4-11)2-7(9)5-16(10,13)14/h2-3,12H,5H2,1H3
InChIKeyKDSMWTKNGXUGEN-UHFFFAOYSA-N
XLogP1.34
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride
CID 117345788
(2,4-dimethoxy-5-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472731
3-(5-cyano-2-hydroxy-4-methoxyphenyl)propanoic acid
CID 117315274
(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonyl chloride
CID 84710861
(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
5-(2-aminooxyethyl)-4-hydroxy-2-methoxybenzonitrile
CID 117297311
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135
4-cyano-5-ethyl-2-hydroxybenzenesulfonyl chloride
CID 131631575
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
2-(4-bromo-5-cyano-2-methoxyphenyl)acetic acid
CID 131321390
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565

Frequently Asked Questions

What is the IUPAC name of (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride (CID 117408990) is (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride is COc1cc(O)c(C#N)cc1CS(=O)(=O)Cl.
What is the InChIKey of (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is KDSMWTKNGXUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4S/c1-15-9-3-8(12)6(4-11)2-7(9)5-16(10,13)14/h2-3,12H,5H2,1H3.
What are the key properties of (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride?
(5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 261.69 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-4-hydroxy-2-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117408990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).