5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide

C9H13BrN2O3S — CID 81414565

IUPAC5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C9H13BrN2O3S/c1-3-12-16(13,14)9-5-7(11)6(10)4-8(9)15-2/h4-5,12H,3,11H2,1-2H3
InChIKeyYRSAOTWPFFJYCV-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.34
Rot. Bonds4

About 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 81414565) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID81414565
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1cc(N)c(Br)cc1OC
InChIInChI=1S/C9H13BrN2O3S/c1-3-12-16(13,14)9-5-7(11)6(10)4-8(9)15-2/h4-5,12H,3,11H2,1-2H3
InChIKeyYRSAOTWPFFJYCV-UHFFFAOYSA-N
XLogP1.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-bromo-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460098
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
5-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 81413927
5-amino-4-bromo-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 81414481
2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 81414077
5-amino-4-bromo-2-methoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941189
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
5-amino-4-bromo-N-butan-2-yl-2-methoxybenzenesulfonamide
CID 81414235
5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
CID 9267366
5-amino-4-bromo-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 81397762
5-amino-4-bromo-N-[(3-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 81414494
5-amino-4-bromo-2-methoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 81397573

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide (CID 81414565) is 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide is CCNS(=O)(=O)c1cc(N)c(Br)cc1OC.
What is the InChIKey of 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is YRSAOTWPFFJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-3-12-16(13,14)9-5-7(11)6(10)4-8(9)15-2/h4-5,12H,3,11H2,1-2H3.
What are the key properties of 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81414565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).