5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide

C10H16BrNO3S2 — CID 65110898

IUPAC5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-10(13,4-2)7-12-17(14,15)9-6-5-8(11)16-9/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyHXANENDGODEHMR-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.34
Rot. Bonds6

About 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide

5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide (PubChem CID 65110898) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
PubChem CID65110898
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-3-10(13,4-2)7-12-17(14,15)9-6-5-8(11)16-9/h5-6,12-13H,3-4,7H2,1-2H3
InChIKeyHXANENDGODEHMR-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 90523153
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
CID 65112960
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
methyl 5-bromo-4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]thiophene-2-carboxylate
CID 65113005
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide (CID 65110898) is 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide?
The InChIKey is HXANENDGODEHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-3-10(13,4-2)7-12-17(14,15)9-6-5-8(11)16-9/h5-6,12-13H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide?
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.34, 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-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 65110898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).