5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide

C10H14Br3NO2S2 — CID 107868332

IUPAC5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
SMILESCCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H14Br3NO2S2/c1-3-10(5-11,6-12)14-18(15,16)8-4-9(13)17-7(8)2/h4,14H,3,5-6H2,1-2H3
InChIKeyCLRUSJCUWSDMQJ-UHFFFAOYSA-N
MW484.07 g/mol
LogP4.04
Rot. Bonds6

About 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide

5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide (PubChem CID 107868332) has the molecular formula C10H14Br3NO2S2 and a molecular weight of 484.07 g/mol. Its IUPAC name is 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
PubChem CID107868332
Molecular FormulaC10H14Br3NO2S2
Molecular Weight484.07 g/mol
Exact Mass480.80
IUPAC Name5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
SMILESCCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H14Br3NO2S2/c1-3-10(5-11,6-12)14-18(15,16)8-4-9(13)17-7(8)2/h4,14H,3,5-6H2,1-2H3
InChIKeyCLRUSJCUWSDMQJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.07
LogP ≤ 54.04
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

N-[3-(aminomethyl)pentan-3-yl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119981138
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107868257
N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
CID 113271110
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 114011011
5-bromo-N-(1-ethylcyclobutyl)-2-methylthiophene-3-sulfonamide
CID 115690387
N-[3-(bromomethyl)pentan-3-yl]-2,5-dimethylbenzenesulfonamide
CID 114294055
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
5-bromo-2-methyl-N-(2,2,2-trifluoroethoxy)thiophene-3-sulfonamide
CID 82714354
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide (CID 107868332) is 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide is CCC(CBr)(CBr)NS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide?
The InChIKey is CLRUSJCUWSDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br3NO2S2/c1-3-10(5-11,6-12)14-18(15,16)8-4-9(13)17-7(8)2/h4,14H,3,5-6H2,1-2H3.
What are the key properties of 5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide has a molecular weight of 484.07 g/mol, XLogP of 4.04, 6 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-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 107868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).