5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide

C12H19Br2NO2S2 — CID 107158081

IUPAC5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(Br)CC(C)(C)C)sc1Br
InChIInChI=1S/C12H19Br2NO2S2/c1-8-5-10(18-11(8)14)19(16,17)15-7-9(13)6-12(2,3)4/h5,9,15H,6-7H2,1-4H3
InChIKeyDFBIGJWMZHNSFV-UHFFFAOYSA-N
MW433.23 g/mol
LogP4.30
Rot. Bonds5

About 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide (PubChem CID 107158081) has the molecular formula C12H19Br2NO2S2 and a molecular weight of 433.23 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
PubChem CID107158081
Molecular FormulaC12H19Br2NO2S2
Molecular Weight433.23 g/mol
Exact Mass430.92
IUPAC Name5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(Br)CC(C)(C)C)sc1Br
InChIInChI=1S/C12H19Br2NO2S2/c1-8-5-10(18-11(8)14)19(16,17)15-7-9(13)6-12(2,3)4/h5,9,15H,6-7H2,1-4H3
InChIKeyDFBIGJWMZHNSFV-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.23
LogP ≤ 54.30
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

3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methoxypropanoic acid
CID 104936772
N-(1-amino-2-methylpropan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79989371
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279836
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide (CID 107158081) is 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(Br)CC(C)(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is DFBIGJWMZHNSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NO2S2/c1-8-5-10(18-11(8)14)19(16,17)15-7-9(13)6-12(2,3)4/h5,9,15H,6-7H2,1-4H3.
What are the key properties of 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 433.23 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107158081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).