5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide

C10H15Br2NO2S2 — CID 114295146

IUPAC5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)CCBr)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-7(3-4-11)6-13-17(14,15)9-5-8(2)10(12)16-9/h5,7,13H,3-4,6H2,1-2H3
InChIKeyGSEQQWKVPMXZQM-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.52
Rot. Bonds6

About 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide (PubChem CID 114295146) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
PubChem CID114295146
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)CCBr)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-7(3-4-11)6-13-17(14,15)9-5-8(2)10(12)16-9/h5,7,13H,3-4,6H2,1-2H3
InChIKeyGSEQQWKVPMXZQM-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.52
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-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
5-bromo-N-[2-(dimethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 79925416
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-N-(2-bromo-4,4-dimethylpentyl)-4-methylthiophene-2-sulfonamide
CID 107158081
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-methoxypropanoic acid
CID 104936772
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
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
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
4-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104936210
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide (CID 114295146) is 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC(C)CCBr)sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is GSEQQWKVPMXZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-7(3-4-11)6-13-17(14,15)9-5-8(2)10(12)16-9/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 114295146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).