4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide

C15H15BrFNO2S — CID 103710385

IUPAC4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-2-5-11-6-3-4-7-15(11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-4,6-10,18H,2,5H2,1H3
InChIKeyGULHPYOTTHBNAE-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.34
Rot. Bonds5

About 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide

4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide (PubChem CID 103710385) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
PubChem CID103710385
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide
SMILESCCCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H15BrFNO2S/c1-2-5-11-6-3-4-7-15(11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-4,6-10,18H,2,5H2,1H3
InChIKeyGULHPYOTTHBNAE-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-bromo-N-(2-ethylsulfanylphenyl)-3-fluorobenzenesulfonamide
CID 107649990
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
2-(methylamino)-N-(2-propylphenyl)pyridine-4-sulfonamide
CID 62157255
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide (CID 103710385) is 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide is CCCc1ccccc1NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide?
The InChIKey is GULHPYOTTHBNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c1-2-5-11-6-3-4-7-15(11)18-21(19,20)12-8-9-13(16)14(17)10-12/h3-4,6-10,18H,2,5H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide?
4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 103710385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).