N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide

C9H12BrClN2O2S — CID 119962290

IUPACN-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
SMILESNCCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H12BrClN2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyUOACSMRMPRSWPK-UHFFFAOYSA-N
MW327.63 g/mol
LogP1.73
Rot. Bonds5

About N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide

N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide (PubChem CID 119962290) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
PubChem CID119962290
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC NameN-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
SMILESNCCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H12BrClN2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyUOACSMRMPRSWPK-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide 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)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 130158590
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 120706697
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
N-(4-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 120583812
4-bromo-N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133710
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide (CID 119962290) is N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide is NCCCNS(=O)(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide?
The InChIKey is UOACSMRMPRSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c10-7-2-3-8(11)9(6-7)16(14,15)13-5-1-4-12/h2-3,6,13H,1,4-5,12H2.
What are the key properties of N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide?
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide has a molecular weight of 327.63 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 119962290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).