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

C9H13Cl3N2O2S — CID 119961978

IUPACN-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S.ClH/c10-7-4-8(11)6-9(5-7)16(14,15)13-3-1-2-12;/h4-6,13H,1-3,12H2;1H
InChIKeyDFIJGKIRZHUWDP-UHFFFAOYSA-N
MW319.64 g/mol
LogP2.04
Rot. Bonds5

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

N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 119961978) has the molecular formula C9H13Cl3N2O2S and a molecular weight of 319.64 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
PubChem CID119961978
Molecular FormulaC9H13Cl3N2O2S
Molecular Weight319.64 g/mol
Exact Mass317.98
IUPAC NameN-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S.ClH/c10-7-4-8(11)6-9(5-7)16(14,15)13-3-1-2-12;/h4-6,13H,1-3,12H2;1H
InChIKeyDFIJGKIRZHUWDP-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)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 86780635
N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119962251

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride (CID 119961978) is N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is DFIJGKIRZHUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S.ClH/c10-7-4-8(11)6-9(5-7)16(14,15)13-3-1-2-12;/h4-6,13H,1-3,12H2;1H.
What are the key properties of N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-3,5-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)-3,5-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119961978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).