3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

C9H14BrNO2S2 — CID 55136740

IUPAC3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-7(10)5-6-14-8/h5-6,11H,4H2,1-3H3
InChIKeyDTKKYRVXIJMWSZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.98
Rot. Bonds4

About 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 55136740) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID55136740
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-7(10)5-6-14-8/h5-6,11H,4H2,1-3H3
InChIKeyDTKKYRVXIJMWSZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 55136740) is 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is DTKKYRVXIJMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-7(10)5-6-14-8/h5-6,11H,4H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 312.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 55136740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).