5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide

C11H17Br2NO2S2 — CID 113271709

IUPAC5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CBr)CC(C)C)sc1Br
InChIInChI=1S/C11H17Br2NO2S2/c1-7(2)4-9(6-12)14-18(15,16)10-5-8(3)11(13)17-10/h5,7,9,14H,4,6H2,1-3H3
InChIKeyWGYRDDOKKYEDIA-UHFFFAOYSA-N
MW419.20 g/mol
LogP3.91
Rot. Bonds6

About 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 113271709) has the molecular formula C11H17Br2NO2S2 and a molecular weight of 419.20 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
PubChem CID113271709
Molecular FormulaC11H17Br2NO2S2
Molecular Weight419.20 g/mol
Exact Mass416.91
IUPAC Name5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(CBr)CC(C)C)sc1Br
InChIInChI=1S/C11H17Br2NO2S2/c1-7(2)4-9(6-12)14-18(15,16)10-5-8(3)11(13)17-10/h5,7,9,14H,4,6H2,1-3H3
InChIKeyWGYRDDOKKYEDIA-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.20
LogP ≤ 53.91
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-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
5-bromo-N-(2-bromo-1-phenylethyl)-4-methylthiophene-2-sulfonamide
CID 114296879
5-bromo-N-(dicyclopropylmethyl)-4-methylthiophene-2-sulfonamide
CID 79934766
5-bromo-N-but-3-en-2-yl-4-methylthiophene-2-sulfonamide
CID 115692248
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
CID 79995355
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]butanethioamide
CID 79988073
(2S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 79987764
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 114208119
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide (CID 113271709) is 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC(CBr)CC(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is WGYRDDOKKYEDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Br2NO2S2/c1-7(2)4-9(6-12)14-18(15,16)10-5-8(3)11(13)17-10/h5,7,9,14H,4,6H2,1-3H3.
What are the key properties of 5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 419.20 g/mol, XLogP of 3.91, 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-4-methylpentan-2-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113271709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).