N-(3-chlorophenyl)-N-methylethanesulfonamide

C9H12ClNO2S — CID 118612457

IUPACN-(3-chlorophenyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-14(12,13)11(2)9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3
InChIKeyOQIIHMNWDOYMQL-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.13
Rot. Bonds3

About N-(3-chlorophenyl)-N-methylethanesulfonamide

N-(3-chlorophenyl)-N-methylethanesulfonamide (PubChem CID 118612457) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methylethanesulfonamide
PubChem CID118612457
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-(3-chlorophenyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1cccc(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-14(12,13)11(2)9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3
InChIKeyOQIIHMNWDOYMQL-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-N-ethylsulfonylanilino)propanoic acid
CID 50890299
2-(3-chloro-N-propylsulfonylanilino)acetic acid
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butane;1,3-dichlorobenzene
CID 174455068
N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
CID 86816575
propyl N-(3-chlorophenyl)-N-methylcarbamate
CID 174449903
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
3-[methyl(propylsulfonyl)amino]benzamide
CID 91156194
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21367810
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
(2R)-2-(3-chloro-N-propylanilino)butanoic acid
CID 125045045

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methylethanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-methylethanesulfonamide (CID 118612457) is N-(3-chlorophenyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methylethanesulfonamide?
The InChIKey is OQIIHMNWDOYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-3-14(12,13)11(2)9-6-4-5-8(10)7-9/h4-7H,3H2,1-2H3.
What are the key properties of N-(3-chlorophenyl)-N-methylethanesulfonamide?
N-(3-chlorophenyl)-N-methylethanesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 118612457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).