3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

C13H13BrFNO2S2 — CID 61067762

IUPAC3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrFNO2S2/c1-9(10-5-3-4-6-12(10)15)16(2)20(17,18)13-11(14)7-8-19-13/h3-9H,1-2H3
InChIKeySECJTXNBPNOAIW-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.03
Rot. Bonds4

About 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61067762) has the molecular formula C13H13BrFNO2S2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID61067762
Molecular FormulaC13H13BrFNO2S2
Molecular Weight378.29 g/mol
Exact Mass376.96
IUPAC Name3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H13BrFNO2S2/c1-9(10-5-3-4-6-12(10)15)16(2)20(17,18)13-11(14)7-8-19-13/h3-9H,1-2H3
InChIKeySECJTXNBPNOAIW-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 61072692
2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 138999711
N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 60959573
3-bromo-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-N-methylthiophene-2-sulfonamide
CID 136517186
2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211
3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
CID 61456147
N-[(2-aminophenyl)methyl]-3-bromo-N-propan-2-ylthiophene-2-sulfonamide
CID 61457781
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
N-[1-(2-fluorophenyl)ethyl]-N-methylpyrrolidine-3-sulfonamide
CID 65416386
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (CID 61067762) is 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is CC(c1ccccc1F)N(C)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is SECJTXNBPNOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2S2/c1-9(10-5-3-4-6-12(10)15)16(2)20(17,18)13-11(14)7-8-19-13/h3-9H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61067762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).