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

C10H14BrNO3S — CID 9267366

IUPAC5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C10H14BrNO3S/c1-4-12-16(13,14)10-6-8(11)7(2)5-9(10)15-3/h5-6,12H,4H2,1-3H3
InChIKeyNZLAFAVTJONCQK-UHFFFAOYSA-N
MW308.20 g/mol
LogP2.06
Rot. Bonds4

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

5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 9267366) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
PubChem CID9267366
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C10H14BrNO3S/c1-4-12-16(13,14)10-6-8(11)7(2)5-9(10)15-3/h5-6,12H,4H2,1-3H3
InChIKeyNZLAFAVTJONCQK-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
N-(3-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119972422
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
5-bromo-N-(cyclohexen-1-ylmethyl)-2-methoxy-4-methylbenzenesulfonamide
CID 25248838
5-bromo-2-methoxy-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
CID 6978351
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide (CID 9267366) is 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide is CCNS(=O)(=O)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is NZLAFAVTJONCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-4-12-16(13,14)10-6-8(11)7(2)5-9(10)15-3/h5-6,12H,4H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide?
5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 2.06, 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-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 9267366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).