4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C14H13BrFNO3S — CID 103223865

IUPAC4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-2-17(10-4-3-5-11(18)8-10)21(19,20)12-6-7-13(15)14(16)9-12/h3-9,18H,2H2,1H3
InChIKeyVAYDOHOCIGWEDQ-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 103223865) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID103223865
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-2-17(10-4-3-5-11(18)8-10)21(19,20)12-6-7-13(15)14(16)9-12/h3-9,18H,2H2,1H3
InChIKeyVAYDOHOCIGWEDQ-UHFFFAOYSA-N
XLogP3.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
4-bromo-N-ethyl-3-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 103697234
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4119863
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 103223865) is 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is VAYDOHOCIGWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-2-17(10-4-3-5-11(18)8-10)21(19,20)12-6-7-13(15)14(16)9-12/h3-9,18H,2H2,1H3.
What are the key properties of 4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.51, 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-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).