5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide

C13H13Br2NO2S2 — CID 114295520

IUPAC5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C13H13Br2NO2S2/c1-9-12(7-13(15)19-9)20(17,18)16-8-11(14)10-5-3-2-4-6-10/h2-7,11,16H,8H2,1H3
InChIKeyGXPKDMZLSGSDOT-UHFFFAOYSA-N
MW439.19 g/mol
LogP4.23
Rot. Bonds5

About 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide (PubChem CID 114295520) has the molecular formula C13H13Br2NO2S2 and a molecular weight of 439.19 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
PubChem CID114295520
Molecular FormulaC13H13Br2NO2S2
Molecular Weight439.19 g/mol
Exact Mass436.88
IUPAC Name5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C13H13Br2NO2S2/c1-9-12(7-13(15)19-9)20(17,18)16-8-11(14)10-5-3-2-4-6-10/h2-7,11,16H,8H2,1H3
InChIKeyGXPKDMZLSGSDOT-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.19
LogP ≤ 54.23
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-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
(2S)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid
CID 103862420
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
N-(2-bromo-2-phenylethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 114295516
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide (CID 114295520) is 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC(Br)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is GXPKDMZLSGSDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO2S2/c1-9-12(7-13(15)19-9)20(17,18)16-8-11(14)10-5-3-2-4-6-10/h2-7,11,16H,8H2,1H3.
What are the key properties of 5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 439.19 g/mol, XLogP of 4.23, 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-2-phenylethyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 114295520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).