3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide

C10H16BrNO3S2 — CID 103858901

IUPAC3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO3S2/c1-8(7-13)3-2-5-12-17(14,15)10-9(11)4-6-16-10/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyHBQBBVRWJUHXDG-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.20
Rot. Bonds7

About 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide

3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide (PubChem CID 103858901) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
PubChem CID103858901
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
SMILESCC(CO)CCCNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H16BrNO3S2/c1-8(7-13)3-2-5-12-17(14,15)10-9(11)4-6-16-10/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyHBQBBVRWJUHXDG-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
4-bromo-3-[(5-hydroxy-4-methylpentyl)sulfamoyl]benzoic acid
CID 106155936
4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-(2-methylpropoxy)thiophene-2-sulfonamide
CID 82715135
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide (CID 103858901) is 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide is CC(CO)CCCNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide?
The InChIKey is HBQBBVRWJUHXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-8(7-13)3-2-5-12-17(14,15)10-9(11)4-6-16-10/h4,6,8,12-13H,2-3,5,7H2,1H3.
What are the key properties of 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide?
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 103858901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).