N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride

C9H13Cl3N2O2S — CID 119962044

IUPACN-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2O2S.ClH/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;1H
InChIKeyWAMYKBDAAVFFAE-UHFFFAOYSA-N
MW319.64 g/mol
LogP2.04
Rot. Bonds5

About N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 119962044) has the molecular formula C9H13Cl3N2O2S and a molecular weight of 319.64 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
PubChem CID119962044
Molecular FormulaC9H13Cl3N2O2S
Molecular Weight319.64 g/mol
Exact Mass317.98
IUPAC NameN-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2O2S.ClH/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;1H
InChIKeyWAMYKBDAAVFFAE-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.64
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
CID 62668104
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
N-(3-aminopropyl)-2-chloro-4-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119962035
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(3-aminopropyl)-4-chloro-2-nitrobenzenesulfonamide
CID 28542730
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride (CID 119962044) is N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is WAMYKBDAAVFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S.ClH/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;1H.
What are the key properties of N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride has a molecular weight of 319.64 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).