3-chloro-N-ethyl-4-methylbenzenesulfonamide

C9H12ClNO2S — CID 18338354

IUPAC3-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-11-14(12,13)8-5-4-7(2)9(10)6-8/h4-6,11H,3H2,1-2H3
InChIKeyIXGKOSPGDFSZSC-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.95
Rot. Bonds3

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

3-chloro-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 18338354) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-methylbenzenesulfonamide
PubChem CID18338354
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name3-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-11-14(12,13)8-5-4-7(2)9(10)6-8/h4-6,11H,3H2,1-2H3
InChIKeyIXGKOSPGDFSZSC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-4-methylbenzenesulfonamide (CID 18338354) is 3-chloro-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is IXGKOSPGDFSZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-3-11-14(12,13)8-5-4-7(2)9(10)6-8/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-4-methylbenzenesulfonamide?
3-chloro-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 18338354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).