5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide

C13H22BrNO3S2 — CID 22500835

IUPAC5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC(C)C)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H22BrNO3S2/c1-4-10(7-9(2)3)11(8-16)15-20(17,18)13-6-5-12(14)19-13/h5-6,9-11,15-16H,4,7-8H2,1-3H3
InChIKeyHQGBQJRVXRAYSU-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.22
Rot. Bonds8

About 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500835) has the molecular formula C13H22BrNO3S2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide
PubChem CID22500835
Molecular FormulaC13H22BrNO3S2
Molecular Weight384.36 g/mol
Exact Mass383.02
IUPAC Name5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide
SMILESCCC(CC(C)C)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H22BrNO3S2/c1-4-10(7-9(2)3)11(8-16)15-20(17,18)13-6-5-12(14)19-13/h5-6,9-11,15-16H,4,7-8H2,1-3H3
InChIKeyHQGBQJRVXRAYSU-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide (CID 22500835) is 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide is CCC(CC(C)C)C(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide?
The InChIKey is HQGBQJRVXRAYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO3S2/c1-4-10(7-9(2)3)11(8-16)15-20(17,18)13-6-5-12(14)19-13/h5-6,9-11,15-16H,4,7-8H2,1-3H3.
What are the key properties of 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide has a molecular weight of 384.36 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyl-1-hydroxy-5-methylhexan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).