2-chloro-5-ethyl-N-methylbenzenesulfonamide

C9H12ClNO2S — CID 22891649

IUPAC2-chloro-5-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(10)9(6-7)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyXDMILLWNDZDMNB-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.81
Rot. Bonds3

About 2-chloro-5-ethyl-N-methylbenzenesulfonamide

2-chloro-5-ethyl-N-methylbenzenesulfonamide (PubChem CID 22891649) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-chloro-5-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-ethyl-N-methylbenzenesulfonamide
PubChem CID22891649
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name2-chloro-5-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(10)9(6-7)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyXDMILLWNDZDMNB-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-ethyl-N-methylbenzenesulfonamide (CID 22891649) is 2-chloro-5-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-ethyl-N-methylbenzenesulfonamide is CCc1ccc(Cl)c(S(=O)(=O)NC)c1.
What is the InChIKey of 2-chloro-5-ethyl-N-methylbenzenesulfonamide?
The InChIKey is XDMILLWNDZDMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-3-7-4-5-8(10)9(6-7)14(12,13)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-chloro-5-ethyl-N-methylbenzenesulfonamide?
2-chloro-5-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 2-chloro-5-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 22891649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).