2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide

C9H11BrClNO2S — CID 50876697

IUPAC2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-3-12-15(13,14)9-5-8(11)6(2)4-7(9)10/h4-5,12H,3H2,1-2H3
InChIKeyYIDOLLZXKRSILF-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.71
Rot. Bonds3

About 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide

2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 50876697) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
PubChem CID50876697
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-3-12-15(13,14)9-5-8(11)6(2)4-7(9)10/h4-5,12H,3H2,1-2H3
InChIKeyYIDOLLZXKRSILF-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide (CID 50876697) is 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is YIDOLLZXKRSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-3-12-15(13,14)9-5-8(11)6(2)4-7(9)10/h4-5,12H,3H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide?
2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).