5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide

C9H13Br2NO2S2 — CID 114293803

IUPAC5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13Br2NO2S2/c1-3-9(2,6-10)12-16(13,14)8-5-4-7(11)15-8/h4-5,12H,3,6H2,1-2H3
InChIKeySXIWUUPBXMYBJO-UHFFFAOYSA-N
MW391.15 g/mol
LogP3.35
Rot. Bonds5

About 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 114293803) has the molecular formula C9H13Br2NO2S2 and a molecular weight of 391.15 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID114293803
Molecular FormulaC9H13Br2NO2S2
Molecular Weight391.15 g/mol
Exact Mass388.88
IUPAC Name5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13Br2NO2S2/c1-3-9(2,6-10)12-16(13,14)8-5-4-7(11)15-8/h4-5,12H,3,6H2,1-2H3
InChIKeySXIWUUPBXMYBJO-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
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
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
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-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
CID 114153362
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 114293803) is 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(CBr)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SXIWUUPBXMYBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2NO2S2/c1-3-9(2,6-10)12-16(13,14)8-5-4-7(11)15-8/h4-5,12H,3,6H2,1-2H3.
What are the key properties of 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 391.15 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114293803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).