N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide

C15H15Br2NO2S — CID 80676433

IUPACN-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(CCBr)Cc1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeyHDJNXVIXKPFANY-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide

N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide (PubChem CID 80676433) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
PubChem CID80676433
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC NameN-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Br)N(CCBr)Cc1ccccc1
InChIInChI=1S/C15H15Br2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeyHDJNXVIXKPFANY-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-benzyl-2-bromo-N-(2-bromoethyl)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

N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 121085252
N-benzyl-N-(2-bromoethyl)pyridine-3-sulfonamide
CID 80673646
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
N-(2-bromoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 80675750

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide (CID 80676433) is N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide is O=S(=O)(c1ccccc1Br)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide?
The InChIKey is HDJNXVIXKPFANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2.
What are the key properties of N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide?
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide is sourced from PubChem (CID 80676433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).