5-bromo-N-butan-2-ylthiophene-2-sulfonamide

C8H12BrNO2S2 — CID 2942952

IUPAC5-bromo-N-butan-2-ylthiophene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3
InChIKeyKMCCOSAPZJUMHR-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-butan-2-ylthiophene-2-sulfonamide

5-bromo-N-butan-2-ylthiophene-2-sulfonamide (PubChem CID 2942952) has the molecular formula C8H12BrNO2S2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N-butan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-butan-2-ylthiophene-2-sulfonamide
PubChem CID2942952
Molecular FormulaC8H12BrNO2S2
Molecular Weight298.23 g/mol
Exact Mass296.95
IUPAC Name5-bromo-N-butan-2-ylthiophene-2-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3
InChIKeyKMCCOSAPZJUMHR-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-butan-2-ylthiophene-2-sulfonamide (CID 2942952) is 5-bromo-N-butan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-butan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-butan-2-ylthiophene-2-sulfonamide is CCC(C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-butan-2-ylthiophene-2-sulfonamide?
The InChIKey is KMCCOSAPZJUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3.
What are the key properties of 5-bromo-N-butan-2-ylthiophene-2-sulfonamide?
5-bromo-N-butan-2-ylthiophene-2-sulfonamide has a molecular weight of 298.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2942952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).