2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide

C13H17Br2NO2S — CID 61059668

IUPAC2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-2-3-8-16(11-5-6-11)19(17,18)13-7-4-10(14)9-12(13)15/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyIQOLSJJJMIYLDS-UHFFFAOYSA-N
MW411.16 g/mol
LogP4.16
Rot. Bonds6

About 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide

2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide (PubChem CID 61059668) has the molecular formula C13H17Br2NO2S and a molecular weight of 411.16 g/mol. Its IUPAC name is 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
PubChem CID61059668
Molecular FormulaC13H17Br2NO2S
Molecular Weight411.16 g/mol
Exact Mass408.93
IUPAC Name2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-2-3-8-16(11-5-6-11)19(17,18)13-7-4-10(14)9-12(13)15/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyIQOLSJJJMIYLDS-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide 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

4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 79186883
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
CID 79117102
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide (CID 61059668) is 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide?
The InChIKey is IQOLSJJJMIYLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2S/c1-2-3-8-16(11-5-6-11)19(17,18)13-7-4-10(14)9-12(13)15/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide?
2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide has a molecular weight of 411.16 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 61059668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).