1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide

C9H12ClNO2S — CID 63665725

IUPAC1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCl)c1C
InChIInChI=1S/C9H12ClNO2S/c1-7-4-3-5-9(8(7)2)11-14(12,13)6-10/h3-5,11H,6H2,1-2H3
InChIKeyFWYOVUFKSQTLDY-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.24
Rot. Bonds3

About 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide

1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide (PubChem CID 63665725) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
PubChem CID63665725
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CCl)c1C
InChIInChI=1S/C9H12ClNO2S/c1-7-4-3-5-9(8(7)2)11-14(12,13)6-10/h3-5,11H,6H2,1-2H3
InChIKeyFWYOVUFKSQTLDY-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
1-chloro-N-(2-methyl-3-pyridinyl)methanesulfonamide
CID 79043239
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
N-(2,1,3-benzoselenadiazol-4-yl)-1-chloromethanesulfonamide
CID 63665160
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
CID 63665572
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
2-(4-chlorobutylsulfonylamino)-N-(2,3-dimethylphenyl)acetamide
CID 116814895

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide (CID 63665725) is 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide is Cc1cccc(NS(=O)(=O)CCl)c1C.
What is the InChIKey of 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide?
The InChIKey is FWYOVUFKSQTLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-7-4-3-5-9(8(7)2)11-14(12,13)6-10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide?
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide is sourced from PubChem (CID 63665725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).