4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide

C10H15Br2NO2S2 — CID 74225965

IUPAC4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-10(2,3)4-5-13-17(14,15)8-6-7(11)9(12)16-8/h6,13H,4-5H2,1-3H3
InChIKeyDJTYDKJRIDUYNV-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.99
Rot. Bonds4

About 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide

4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide (PubChem CID 74225965) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide
PubChem CID74225965
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide
SMILESCC(C)(C)CCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H15Br2NO2S2/c1-10(2,3)4-5-13-17(14,15)8-6-7(11)9(12)16-8/h6,13H,4-5H2,1-3H3
InChIKeyDJTYDKJRIDUYNV-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide (CID 74225965) is 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide is CC(C)(C)CCNS(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide?
The InChIKey is DJTYDKJRIDUYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-10(2,3)4-5-13-17(14,15)8-6-7(11)9(12)16-8/h6,13H,4-5H2,1-3H3.
What are the key properties of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide?
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 74225965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).