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

C12H20BrNO3S2 — CID 22500845

IUPAC5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(CC)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO3S2/c1-3-5-9(4-2)10(8-15)14-19(16,17)12-7-6-11(13)18-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyANKYNHCNJGLMBK-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.98
Rot. Bonds8

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

5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500845) has the molecular formula C12H20BrNO3S2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide
PubChem CID22500845
Molecular FormulaC12H20BrNO3S2
Molecular Weight370.33 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(CC)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H20BrNO3S2/c1-3-5-9(4-2)10(8-15)14-19(16,17)12-7-6-11(13)18-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3
InChIKeyANKYNHCNJGLMBK-UHFFFAOYSA-N
XLogP2.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.98
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-hydroxyhexan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide (CID 22500845) is 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide is CCCC(CC)C(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide?
The InChIKey is ANKYNHCNJGLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO3S2/c1-3-5-9(4-2)10(8-15)14-19(16,17)12-7-6-11(13)18-12/h6-7,9-10,14-15H,3-5,8H2,1-2H3.
What are the key properties of 5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(3-ethyl-1-hydroxyhexan-2-yl)thiophene-2-sulfonamide has a molecular weight of 370.33 g/mol, XLogP of 2.98, 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-hydroxyhexan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).