5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide

C14H13BrFNO3S — CID 4228347

IUPAC5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO3S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)17-12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3
InChIKeyUDADAKVQGDRFOA-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 4228347) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID4228347
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H13BrFNO3S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)17-12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3
InChIKeyUDADAKVQGDRFOA-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide (CID 4228347) is 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is UDADAKVQGDRFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-2-20-13-8-3-10(15)9-14(13)21(18,19)17-12-6-4-11(16)5-7-12/h3-9,17H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 4228347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).