4-bromo-N-ethyl-3-methylbenzenesulfonamide

C9H12BrNO2S — CID 43212850

IUPAC4-bromo-N-ethyl-3-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyJIGXMQLKBPEGMI-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.06
Rot. Bonds3

About 4-bromo-N-ethyl-3-methylbenzenesulfonamide

4-bromo-N-ethyl-3-methylbenzenesulfonamide (PubChem CID 43212850) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methylbenzenesulfonamide
PubChem CID43212850
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name4-bromo-N-ethyl-3-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyJIGXMQLKBPEGMI-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-methylbenzenesulfonamide (CID 43212850) is 4-bromo-N-ethyl-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-methylbenzenesulfonamide?
The InChIKey is JIGXMQLKBPEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-3-methylbenzenesulfonamide?
4-bromo-N-ethyl-3-methylbenzenesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 43212850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).