3-bromo-4-chloro-N-ethoxybenzenesulfonamide

C8H9BrClNO3S — CID 106605703

IUPAC3-bromo-4-chloro-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClNO3S/c1-2-14-11-15(12,13)6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyFVODRUXGFAZAIY-UHFFFAOYSA-N
MW314.59 g/mol
LogP2.33
Rot. Bonds4

About 3-bromo-4-chloro-N-ethoxybenzenesulfonamide

3-bromo-4-chloro-N-ethoxybenzenesulfonamide (PubChem CID 106605703) has the molecular formula C8H9BrClNO3S and a molecular weight of 314.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethoxybenzenesulfonamide
PubChem CID106605703
Molecular FormulaC8H9BrClNO3S
Molecular Weight314.59 g/mol
Exact Mass312.92
IUPAC Name3-bromo-4-chloro-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClNO3S/c1-2-14-11-15(12,13)6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyFVODRUXGFAZAIY-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 106605708
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-N-tert-butyl-4-chlorobenzenesulfonamide
CID 106545074
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
ethyl 4-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoate
CID 106545378
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593
3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 106612674
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethoxybenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-ethoxybenzenesulfonamide (CID 106605703) is 3-bromo-4-chloro-N-ethoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethoxybenzenesulfonamide is CCONS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-ethoxybenzenesulfonamide?
The InChIKey is FVODRUXGFAZAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO3S/c1-2-14-11-15(12,13)6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-ethoxybenzenesulfonamide?
3-bromo-4-chloro-N-ethoxybenzenesulfonamide has a molecular weight of 314.59 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethoxybenzenesulfonamide is sourced from PubChem (CID 106605703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).