5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide

C12H10BrF2NO2S2 — CID 62305247

IUPAC5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)cc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrF2NO2S2/c13-11-1-2-12(19-11)20(17,18)16-4-3-8-5-9(14)7-10(15)6-8/h1-2,5-7,16H,3-4H2
InChIKeyFXTXOQNDGUCECA-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 62305247) has the molecular formula C12H10BrF2NO2S2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID62305247
Molecular FormulaC12H10BrF2NO2S2
Molecular Weight382.25 g/mol
Exact Mass380.93
IUPAC Name5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cc(F)cc(F)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrF2NO2S2/c13-11-1-2-12(19-11)20(17,18)16-4-3-8-5-9(14)7-10(15)6-8/h1-2,5-7,16H,3-4H2
InChIKeyFXTXOQNDGUCECA-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
N-[2-(3,5-difluorophenyl)ethyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 86610353
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110415650
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 18148720
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 55353993
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide (CID 62305247) is 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1cc(F)cc(F)c1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is FXTXOQNDGUCECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO2S2/c13-11-1-2-12(19-11)20(17,18)16-4-3-8-5-9(14)7-10(15)6-8/h1-2,5-7,16H,3-4H2.
What are the key properties of 5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 382.25 g/mol, XLogP of 3.31, 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-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 62305247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).