2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide

C13H20Br2N2O2S2 — CID 106609340

IUPAC2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H20Br2N2O2S2/c1-2-3-7-17(9-10-5-4-6-16-10)21(18,19)11-8-12(14)20-13(11)15/h8,10,16H,2-7,9H2,1H3
InChIKeyHRHCJTBKLALXSL-UHFFFAOYSA-N
MW460.26 g/mol
LogP3.82
Rot. Bonds7

About 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide

2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106609340) has the molecular formula C13H20Br2N2O2S2 and a molecular weight of 460.26 g/mol. Its IUPAC name is 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID106609340
Molecular FormulaC13H20Br2N2O2S2
Molecular Weight460.26 g/mol
Exact Mass457.93
IUPAC Name2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCCCCN(CC1CCCN1)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H20Br2N2O2S2/c1-2-3-7-17(9-10-5-4-6-16-10)21(18,19)11-8-12(14)20-13(11)15/h8,10,16H,2-7,9H2,1H3
InChIKeyHRHCJTBKLALXSL-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)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

5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609304
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
N-butyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106609083
5-bromo-N-butyl-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106609031
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-chloro-4-fluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608467
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide (CID 106609340) is 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide is CCCCN(CC1CCCN1)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is HRHCJTBKLALXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O2S2/c1-2-3-7-17(9-10-5-4-6-16-10)21(18,19)11-8-12(14)20-13(11)15/h8,10,16H,2-7,9H2,1H3.
What are the key properties of 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide?
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 460.26 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106609340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).