2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide

C14H15Br2NO2S2 — CID 63420862

IUPAC2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)cc1Br)c1cccs1
InChIInChI=1S/C14H15Br2NO2S2/c1-9(2)14(12-4-3-7-20-12)17-21(18,19)13-6-5-10(15)8-11(13)16/h3-9,14,17H,1-2H3
InChIKeyDDWGPWUXIMOPIC-UHFFFAOYSA-N
MW453.22 g/mol
LogP4.95
Rot. Bonds5

About 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide

2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide (PubChem CID 63420862) has the molecular formula C14H15Br2NO2S2 and a molecular weight of 453.22 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
PubChem CID63420862
Molecular FormulaC14H15Br2NO2S2
Molecular Weight453.22 g/mol
Exact Mass450.89
IUPAC Name2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Br)cc1Br)c1cccs1
InChIInChI=1S/C14H15Br2NO2S2/c1-9(2)14(12-4-3-7-20-12)17-21(18,19)13-6-5-10(15)8-11(13)16/h3-9,14,17H,1-2H3
InChIKeyDDWGPWUXIMOPIC-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzenesulfonamide
CID 38256287
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
CID 62157709
2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
CID 63420561
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
(2R)-2-[(2,4-dibromophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927043
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929
2-[(2,4-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 47304785
5-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64609039

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide (CID 63420862) is 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Br)cc1Br)c1cccs1.
What is the InChIKey of 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide?
The InChIKey is DDWGPWUXIMOPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2S2/c1-9(2)14(12-4-3-7-20-12)17-21(18,19)13-6-5-10(15)8-11(13)16/h3-9,14,17H,1-2H3.
What are the key properties of 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide?
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide has a molecular weight of 453.22 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 63420862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).