1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide

C10H14ClNO2S — CID 63665094

IUPAC1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-3-9-6-4-5-8(2)10(9)12-15(13,14)7-11/h4-6,12H,3,7H2,1-2H3
InChIKeyDQBDHZBPYSHSBN-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.50
Rot. Bonds4

About 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide

1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide (PubChem CID 63665094) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
PubChem CID63665094
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)CCl
InChIInChI=1S/C10H14ClNO2S/c1-3-9-6-4-5-8(2)10(9)12-15(13,14)7-11/h4-6,12H,3,7H2,1-2H3
InChIKeyDQBDHZBPYSHSBN-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.50
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-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
1-chloro-N-(2,3-dimethylphenyl)methanesulfonamide
CID 63665725
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
N-(2,6-dimethylphenyl)sulfamoyl chloride
CID 84760590
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
N-(2-ethyl-6-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629071
4-butan-2-yl-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 22773751

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide (CID 63665094) is 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide is CCc1cccc(C)c1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The InChIKey is DQBDHZBPYSHSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-9-6-4-5-8(2)10(9)12-15(13,14)7-11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 63665094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).