3,5-dibromo-N-tert-butylthiophene-2-sulfonamide

C8H11Br2NO2S2 — CID 2740058

IUPAC3,5-dibromo-N-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1sc(Br)cc1Br
InChIInChI=1S/C8H11Br2NO2S2/c1-8(2,3)11-15(12,13)7-5(9)4-6(10)14-7/h4,11H,1-3H3
InChIKeyTZXXLPHZONLLPD-UHFFFAOYSA-N
MW377.12 g/mol
LogP3.35
Rot. Bonds2

About 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide

3,5-dibromo-N-tert-butylthiophene-2-sulfonamide (PubChem CID 2740058) has the molecular formula C8H11Br2NO2S2 and a molecular weight of 377.12 g/mol. Its IUPAC name is 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3,5-dibromo-N-tert-butylthiophene-2-sulfonamide
PubChem CID2740058
Molecular FormulaC8H11Br2NO2S2
Molecular Weight377.12 g/mol
Exact Mass374.86
IUPAC Name3,5-dibromo-N-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1sc(Br)cc1Br
InChIInChI=1S/C8H11Br2NO2S2/c1-8(2,3)11-15(12,13)7-5(9)4-6(10)14-7/h4,11H,1-3H3
InChIKeyTZXXLPHZONLLPD-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide?
The IUPAC name of 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide (CID 2740058) is 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide.
What is the SMILES notation for 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide?
The canonical SMILES for 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1sc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide?
The InChIKey is TZXXLPHZONLLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NO2S2/c1-8(2,3)11-15(12,13)7-5(9)4-6(10)14-7/h4,11H,1-3H3.
What are the key properties of 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide?
3,5-dibromo-N-tert-butylthiophene-2-sulfonamide has a molecular weight of 377.12 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-tert-butylthiophene-2-sulfonamide is sourced from PubChem (CID 2740058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).