5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide

C8H12BrNO2S2 — CID 848230

IUPAC5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyKMCCOSAPZJUMHR-ZCFIWIBFSA-N
MW298.23 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide

5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide (PubChem CID 848230) has the molecular formula C8H12BrNO2S2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
PubChem CID848230
Molecular FormulaC8H12BrNO2S2
Molecular Weight298.23 g/mol
Exact Mass296.95
IUPAC Name5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyKMCCOSAPZJUMHR-ZCFIWIBFSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-pent-4-yn-2-ylthiophene-2-sulfonamide
CID 115662596
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
5-bromo-N-(1-morpholin-4-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54938192
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
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-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide (CID 848230) is 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is KMCCOSAPZJUMHR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12BrNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 298.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).