2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide

C10H15Br2NO2S2 — CID 115613434

IUPAC2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-3-7(4-2)6-13-17(14,15)8-5-9(11)16-10(8)12/h5,7,13H,3-4,6H2,1-2H3
InChIKeyVCDQCOOJBDLJSR-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.99
Rot. Bonds6

About 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide

2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide (PubChem CID 115613434) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
PubChem CID115613434
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H15Br2NO2S2/c1-3-7(4-2)6-13-17(14,15)8-5-9(11)16-10(8)12/h5,7,13H,3-4,6H2,1-2H3
InChIKeyVCDQCOOJBDLJSR-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide 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-propylthiophene-3-sulfonamide
CID 43212966
5-[(2,5-dibromothiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683979
2,5-dibromo-N-(2-hydroxy-2-methylbutyl)thiophene-3-sulfonamide
CID 65113447
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43238236
ethyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 164831314
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
methyl 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoate
CID 60652067
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
2,5-dibromo-N-[4-(methylamino)phenyl]thiophene-3-sulfonamide
CID 43604086
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide (CID 115613434) is 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide is CCC(CC)CNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide?
The InChIKey is VCDQCOOJBDLJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-3-7(4-2)6-13-17(14,15)8-5-9(11)16-10(8)12/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(2-ethylbutyl)thiophene-3-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.99, 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-(2-ethylbutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115613434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).