3-chloro-4-ethyl-N-methylbenzenesulfonamide

C9H12ClNO2S — CID 149042706

IUPAC3-chloro-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC)cc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(6-9(7)10)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyQHXCDFGBNIFCSE-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.81
Rot. Bonds3

About 3-chloro-4-ethyl-N-methylbenzenesulfonamide

3-chloro-4-ethyl-N-methylbenzenesulfonamide (PubChem CID 149042706) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-chloro-4-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-ethyl-N-methylbenzenesulfonamide
PubChem CID149042706
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name3-chloro-4-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC)cc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(6-9(7)10)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyQHXCDFGBNIFCSE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,4-diethylbenzenesulfonamide
CID 165445797
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
3-chloro-N-ethyl-4-(hydroxymethyl)benzenesulfonamide
CID 107090660
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-(3,4-dichlorophenyl)sulfonyl-N-methylbenzenesulfonamide
CID 71590941
3,5-dichloro-N,4-dimethylbenzenesulfonamide
CID 142363303
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-chloro-4-(hydroxymethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331656
N-tert-butyl-3-chloro-4-(ethylaminomethyl)benzenesulfonamide
CID 107091310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-ethyl-N-methylbenzenesulfonamide (CID 149042706) is 3-chloro-4-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-ethyl-N-methylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC)cc1Cl.
What is the InChIKey of 3-chloro-4-ethyl-N-methylbenzenesulfonamide?
The InChIKey is QHXCDFGBNIFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(6-9(7)10)14(12,13)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-chloro-4-ethyl-N-methylbenzenesulfonamide?
3-chloro-4-ethyl-N-methylbenzenesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 149042706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).