2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C12H11Br2NO2S2 — CID 43001328

IUPAC2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1
InChIInChI=1S/C12H11Br2NO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-7-9(13)4-5-10(12)14/h2-8,15H,1H3
InChIKeyHJQXUKWZJVPVLG-UHFFFAOYSA-N
MW425.17 g/mol
LogP4.31
Rot. Bonds4

About 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide

2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43001328) has the molecular formula C12H11Br2NO2S2 and a molecular weight of 425.17 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43001328
Molecular FormulaC12H11Br2NO2S2
Molecular Weight425.17 g/mol
Exact Mass422.86
IUPAC Name2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1
InChIInChI=1S/C12H11Br2NO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-7-9(13)4-5-10(12)14/h2-8,15H,1H3
InChIKeyHJQXUKWZJVPVLG-UHFFFAOYSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
CID 63420561
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-amino-4-bromo-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 114625113
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 43001328) is 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1.
What is the InChIKey of 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is HJQXUKWZJVPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2S2/c1-8(11-3-2-6-18-11)15-19(16,17)12-7-9(13)4-5-10(12)14/h2-8,15H,1H3.
What are the key properties of 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 425.17 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43001328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).