5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide

C13H13BrFNO2S2 — CID 79994940

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc(F)cc2)sc1Br
InChIInChI=1S/C13H13BrFNO2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-6-10-2-4-11(15)5-3-10/h2-5,8,16H,6-7H2,1H3
InChIKeyKFSWSXINSXMKHA-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.48
Rot. Bonds5

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79994940) has the molecular formula C13H13BrFNO2S2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
PubChem CID79994940
Molecular FormulaC13H13BrFNO2S2
Molecular Weight378.29 g/mol
Exact Mass376.96
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc(F)cc2)sc1Br
InChIInChI=1S/C13H13BrFNO2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-6-10-2-4-11(15)5-3-10/h2-5,8,16H,6-7H2,1H3
InChIKeyKFSWSXINSXMKHA-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
5-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 103739636
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
CID 107232063
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
N-(3-amino-3-phenylpropyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 80505327
5-bromo-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-sulfonamide
CID 79945818
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide (CID 79994940) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCc2ccc(F)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is KFSWSXINSXMKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2S2/c1-9-8-12(19-13(9)14)20(17,18)16-7-6-10-2-4-11(15)5-3-10/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79994940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).