N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide

C14H13BrFNO2S2 — CID 158289296

IUPACN-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Sc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H13BrFNO2S2/c1-2-21(18,19)17-10-7-8-13(11(15)9-10)20-14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3
InChIKeyGLDUOSJMKNTZON-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.50
Rot. Bonds5

About N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide

N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide (PubChem CID 158289296) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide
PubChem CID158289296
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC NameN-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Sc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H13BrFNO2S2/c1-2-21(18,19)17-10-7-8-13(11(15)9-10)20-14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3
InChIKeyGLDUOSJMKNTZON-UHFFFAOYSA-N
XLogP4.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide?
The IUPAC name of N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide (CID 158289296) is N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide?
The canonical SMILES for N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Sc2ccccc2F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide?
The InChIKey is GLDUOSJMKNTZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c1-2-21(18,19)17-10-7-8-13(11(15)9-10)20-14-6-4-3-5-12(14)16/h3-9,17H,2H2,1H3.
What are the key properties of N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide?
N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide has a molecular weight of 390.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethanesulfonamide is sourced from PubChem (CID 158289296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).