5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide

C9H14BrNO3S2 — CID 22500719

IUPAC5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S2/c1-2-3-7(6-12)11-16(13,14)9-5-4-8(10)15-9/h4-5,7,11-12H,2-3,6H2,1H3
InChIKeyAVAWZIZJPMBGPA-UHFFFAOYSA-N
MW328.25 g/mol
LogP1.95
Rot. Bonds6

About 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500719) has the molecular formula C9H14BrNO3S2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide
PubChem CID22500719
Molecular FormulaC9H14BrNO3S2
Molecular Weight328.25 g/mol
Exact Mass326.96
IUPAC Name5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide
SMILESCCCC(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO3S2/c1-2-3-7(6-12)11-16(13,14)9-5-4-8(10)15-9/h4-5,7,11-12H,2-3,6H2,1H3
InChIKeyAVAWZIZJPMBGPA-UHFFFAOYSA-N
XLogP1.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide (CID 22500719) is 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide is CCCC(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide?
The InChIKey is AVAWZIZJPMBGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO3S2/c1-2-3-7(6-12)11-16(13,14)9-5-4-8(10)15-9/h4-5,7,11-12H,2-3,6H2,1H3.
What are the key properties of 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide has a molecular weight of 328.25 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxypentan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).