5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

C9H14BrNO2S2 — CID 19682083

IUPAC5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-6-5-7(10)14-8/h5-6,11H,4H2,1-3H3
InChIKeyJARFZZMOLMXBIX-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 19682083) has the molecular formula C9H14BrNO2S2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID19682083
Molecular FormulaC9H14BrNO2S2
Molecular Weight312.25 g/mol
Exact Mass310.96
IUPAC Name5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-6-5-7(10)14-8/h5-6,11H,4H2,1-3H3
InChIKeyJARFZZMOLMXBIX-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 114293803
5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106266850
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
CID 61126498
2-[(5-bromothiophen-2-yl)sulfonylamino]-2-methylpropanamide
CID 61392292
5-bromo-N-(1-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-sulfonamide
CID 22500765
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)thiophene-2-sulfonamide
CID 115754090
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromothiophene-2-sulfonohydrazide
CID 23464136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 19682083) is 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is JARFZZMOLMXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S2/c1-4-9(2,3)11-15(12,13)8-6-5-7(10)14-8/h5-6,11H,4H2,1-3H3.
What are the key properties of 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 312.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 19682083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).