(3-chlorophenyl)sulfonylmethyl acetate

C9H9ClO4S — CID 151338896

IUPAC(3-chlorophenyl)sulfonylmethyl acetate
SMILESCC(=O)OCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO4S/c1-7(11)14-6-15(12,13)9-4-2-3-8(10)5-9/h2-5H,6H2,1H3
InChIKeyOKARHUSNSBKALM-UHFFFAOYSA-N
MW248.69 g/mol
LogP1.63
Rot. Bonds3

About (3-chlorophenyl)sulfonylmethyl acetate

(3-chlorophenyl)sulfonylmethyl acetate (PubChem CID 151338896) has the molecular formula C9H9ClO4S and a molecular weight of 248.69 g/mol. Its IUPAC name is (3-chlorophenyl)sulfonylmethyl acetate.

Molecular Properties

Compound Name(3-chlorophenyl)sulfonylmethyl acetate
PubChem CID151338896
Molecular FormulaC9H9ClO4S
Molecular Weight248.69 g/mol
Exact Mass247.99
IUPAC Name(3-chlorophenyl)sulfonylmethyl acetate
SMILESCC(=O)OCS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClO4S/c1-7(11)14-6-15(12,13)9-4-2-3-8(10)5-9/h2-5H,6H2,1H3
InChIKeyOKARHUSNSBKALM-UHFFFAOYSA-N
XLogP1.63
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)sulfonylmethyl acetate
CID 151243050
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
1-(3-chlorophenyl)sulfonyl-3-methylpentan-2-ol
CID 106585027
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
3-(3-chlorophenyl)sulfonylpropan-1-amine
CID 28753143
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
(3-chlorophenyl)sulfonyl-methanidylazanium
CID 59280704
(3-chlorophenyl)sulfonylurea
CID 117060605
4-[(3-chlorophenyl)sulfonylmethyl]benzoic acid
CID 62646802
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)sulfonylmethyl acetate?
The IUPAC name of (3-chlorophenyl)sulfonylmethyl acetate (CID 151338896) is (3-chlorophenyl)sulfonylmethyl acetate.
What is the SMILES notation for (3-chlorophenyl)sulfonylmethyl acetate?
The canonical SMILES for (3-chlorophenyl)sulfonylmethyl acetate is CC(=O)OCS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)sulfonylmethyl acetate?
The InChIKey is OKARHUSNSBKALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4S/c1-7(11)14-6-15(12,13)9-4-2-3-8(10)5-9/h2-5H,6H2,1H3.
What are the key properties of (3-chlorophenyl)sulfonylmethyl acetate?
(3-chlorophenyl)sulfonylmethyl acetate has a molecular weight of 248.69 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)sulfonylmethyl acetate is sourced from PubChem (CID 151338896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).