N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride

C9H14Cl2N2O2S — CID 119962046

IUPACN-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2O2S.ClH/c10-8-3-1-4-9(7-8)15(13,14)12-6-2-5-11;/h1,3-4,7,12H,2,5-6,11H2;1H
InChIKeyVKVYOQSAADWNIJ-UHFFFAOYSA-N
MW285.20 g/mol
LogP1.39
Rot. Bonds5

About N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride (PubChem CID 119962046) has the molecular formula C9H14Cl2N2O2S and a molecular weight of 285.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
PubChem CID119962046
Molecular FormulaC9H14Cl2N2O2S
Molecular Weight285.20 g/mol
Exact Mass284.02
IUPAC NameN-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H13ClN2O2S.ClH/c10-8-3-1-4-9(7-8)15(13,14)12-6-2-5-11;/h1,3-4,7,12H,2,5-6,11H2;1H
InChIKeyVKVYOQSAADWNIJ-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 51.39
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)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
1-N-(3-aminopropyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 119961996
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride (CID 119962046) is N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is VKVYOQSAADWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S.ClH/c10-8-3-1-4-9(7-8)15(13,14)12-6-2-5-11;/h1,3-4,7,12H,2,5-6,11H2;1H.
What are the key properties of N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 285.20 g/mol, XLogP of 1.39, 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-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).