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

C14H15Br2NO2S2 — CID 63420561

IUPAC2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
SMILESCCCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1
InChIInChI=1S/C14H15Br2NO2S2/c1-2-4-12(13-5-3-8-20-13)17-21(18,19)14-9-10(15)6-7-11(14)16/h3,5-9,12,17H,2,4H2,1H3
InChIKeyVLRWTZOGJXCFRC-UHFFFAOYSA-N
MW453.22 g/mol
LogP5.09
Rot. Bonds6

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

2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide (PubChem CID 63420561) has the molecular formula C14H15Br2NO2S2 and a molecular weight of 453.22 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
PubChem CID63420561
Molecular FormulaC14H15Br2NO2S2
Molecular Weight453.22 g/mol
Exact Mass450.89
IUPAC Name2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide
SMILESCCCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1
InChIInChI=1S/C14H15Br2NO2S2/c1-2-4-12(13-5-3-8-20-13)17-21(18,19)14-9-10(15)6-7-11(14)16/h3,5-9,12,17H,2,4H2,1H3
InChIKeyVLRWTZOGJXCFRC-UHFFFAOYSA-N
XLogP5.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
6-amino-5-chloro-N-(1-thiophen-2-ylbutyl)pyridine-3-sulfonamide
CID 64600123
3-[(4-bromophenyl)sulfonylamino]-N-butyl-3-thiophen-2-ylpropanamide
CID 4146621
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 82774195
2,5-dibromo-N-ethoxybenzenesulfonamide
CID 60700593
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833752

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide (CID 63420561) is 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide is CCCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccs1.
What is the InChIKey of 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide?
The InChIKey is VLRWTZOGJXCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2S2/c1-2-4-12(13-5-3-8-20-13)17-21(18,19)14-9-10(15)6-7-11(14)16/h3,5-9,12,17H,2,4H2,1H3.
What are the key properties of 2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide?
2,5-dibromo-N-(1-thiophen-2-ylbutyl)benzenesulfonamide has a molecular weight of 453.22 g/mol, XLogP of 5.09, 6 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-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 63420561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).