5-bromo-N-ethyl-2-methoxybenzenesulfonamide

C9H12BrNO3S — CID 935464

IUPAC5-bromo-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)9-6-7(10)4-5-8(9)14-2/h4-6,11H,3H2,1-2H3
InChIKeyPEBLRAOWTSGIAS-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.76
Rot. Bonds4

About 5-bromo-N-ethyl-2-methoxybenzenesulfonamide

5-bromo-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 935464) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID935464
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name5-bromo-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)9-6-7(10)4-5-8(9)14-2/h4-6,11H,3H2,1-2H3
InChIKeyPEBLRAOWTSGIAS-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-ethyl-2-methoxybenzenesulfonamide (CID 935464) is 5-bromo-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-2-methoxybenzenesulfonamide is CCNS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is PEBLRAOWTSGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)9-6-7(10)4-5-8(9)14-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-2-methoxybenzenesulfonamide?
5-bromo-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 935464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).