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

C8H12BrNO3S2 — CID 65034614

IUPAC5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-6(5-11)4-10-15(12,13)8-3-2-7(9)14-8/h2-3,6,10-11H,4-5H2,1H3
InChIKeySPJNCIGMSZTCMK-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.42
Rot. Bonds5

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

5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 65034614) has the molecular formula C8H12BrNO3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
PubChem CID65034614
Molecular FormulaC8H12BrNO3S2
Molecular Weight314.23 g/mol
Exact Mass312.94
IUPAC Name5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-6(5-11)4-10-15(12,13)8-3-2-7(9)14-8/h2-3,6,10-11H,4-5H2,1H3
InChIKeySPJNCIGMSZTCMK-UHFFFAOYSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
CID 22500765
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
5-bromo-N-[(2R,3R)-1-hydroxy-3,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 10292550
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (CID 65034614) is 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is CC(CO)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is SPJNCIGMSZTCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S2/c1-6(5-11)4-10-15(12,13)8-3-2-7(9)14-8/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 314.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 65034614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).