5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide

C10H16BrNO3S2 — CID 22500765

IUPAC5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(C)(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-7(2)10(3,6-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,7,12-13H,6H2,1-3H3
InChIKeyIHUODRLPJKZVMS-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.20
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500765) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID22500765
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)C(C)(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-7(2)10(3,6-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,7,12-13H,6H2,1-3H3
InChIKeyIHUODRLPJKZVMS-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
CID 115754090
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
CID 61126498
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide (CID 22500765) is 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide is CC(C)C(C)(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is IHUODRLPJKZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-7(2)10(3,6-13)12-17(14,15)9-5-4-8(11)16-9/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).