5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

C13H14BrNO3S2 — CID 56765303

IUPAC5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H14BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-9-11(16)8-10-4-2-1-3-5-10/h1-7,11,15-16H,8-9H2
InChIKeyQSLSNUDNGIFAQK-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.39
Rot. Bonds6

About 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide

5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (PubChem CID 56765303) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
PubChem CID56765303
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)Cc1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H14BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-9-11(16)8-10-4-2-1-3-5-10/h1-7,11,15-16H,8-9H2
InChIKeyQSLSNUDNGIFAQK-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide (CID 56765303) is 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is O=S(=O)(NCC(O)Cc1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
The InChIKey is QSLSNUDNGIFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c14-12-6-7-13(19-12)20(17,18)15-9-11(16)8-10-4-2-1-3-5-10/h1-7,11,15-16H,8-9H2.
What are the key properties of 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 56765303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).