3-bromo-N-ethylthiophene-2-sulfonamide

C6H8BrNO2S2 — CID 61072476

IUPAC3-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H8BrNO2S2/c1-2-8-12(9,10)6-5(7)3-4-11-6/h3-4,8H,2H2,1H3
InChIKeySQVLOSURHWYZFU-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.81
Rot. Bonds3

About 3-bromo-N-ethylthiophene-2-sulfonamide

3-bromo-N-ethylthiophene-2-sulfonamide (PubChem CID 61072476) has the molecular formula C6H8BrNO2S2 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-ethylthiophene-2-sulfonamide
PubChem CID61072476
Molecular FormulaC6H8BrNO2S2
Molecular Weight270.17 g/mol
Exact Mass268.92
IUPAC Name3-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H8BrNO2S2/c1-2-8-12(9,10)6-5(7)3-4-11-6/h3-4,8H,2H2,1H3
InChIKeySQVLOSURHWYZFU-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-sulfonamide
CID 114164898
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 55136740
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 113400598
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-ethylthiophene-2-sulfonamide (CID 61072476) is 3-bromo-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-ethylthiophene-2-sulfonamide is CCNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethylthiophene-2-sulfonamide?
The InChIKey is SQVLOSURHWYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S2/c1-2-8-12(9,10)6-5(7)3-4-11-6/h3-4,8H,2H2,1H3.
What are the key properties of 3-bromo-N-ethylthiophene-2-sulfonamide?
3-bromo-N-ethylthiophene-2-sulfonamide has a molecular weight of 270.17 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 61072476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).