2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C12H11BrFNO2S2 — CID 47257678

IUPAC2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C12H11BrFNO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,1H3
InChIKeyPNVLVPNVACGTNG-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.69
Rot. Bonds4

About 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide

2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 47257678) has the molecular formula C12H11BrFNO2S2 and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID47257678
Molecular FormulaC12H11BrFNO2S2
Molecular Weight364.26 g/mol
Exact Mass362.94
IUPAC Name2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C12H11BrFNO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,1H3
InChIKeyPNVLVPNVACGTNG-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
N-[1-(3-aminophenyl)ethyl]-2-bromo-4-fluorobenzenesulfonamide
CID 60822658
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 47257678) is 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1Br)c1cccs1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is PNVLVPNVACGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-5-4-9(14)7-10(12)13/h2-8,15H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 364.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47257678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).