4-bromo-N-ethyl-3-methoxybenzenesulfonamide

C9H12BrNO3S — CID 850060

IUPAC4-bromo-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)7-4-5-8(10)9(6-7)14-2/h4-6,11H,3H2,1-2H3
InChIKeyKFQNHZZYKIJNKM-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.76
Rot. Bonds4

About 4-bromo-N-ethyl-3-methoxybenzenesulfonamide

4-bromo-N-ethyl-3-methoxybenzenesulfonamide (PubChem CID 850060) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-methoxybenzenesulfonamide
PubChem CID850060
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name4-bromo-N-ethyl-3-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)7-4-5-8(10)9(6-7)14-2/h4-6,11H,3H2,1-2H3
InChIKeyKFQNHZZYKIJNKM-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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Related Compounds

4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
4-bromo-3-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 2967761
3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 880441
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 765790
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
4-bromo-3-ethoxy-N,N-diethylbenzenesulfonamide
CID 850071
5-bromo-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 1587715
4-Bromo-3-methoxybenzene-1-sulfonamide
CID 47001060
4-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 50876026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-methoxybenzenesulfonamide (CID 850060) is 4-bromo-N-ethyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-methoxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
The InChIKey is KFQNHZZYKIJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-3-11-15(12,13)7-4-5-8(10)9(6-7)14-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-3-methoxybenzenesulfonamide?
4-bromo-N-ethyl-3-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 4-bromo-N-ethyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 850060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).