N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride

C10H15Cl3N2O2S — CID 86780581

IUPACN-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c11-9-3-1-4-10(12)8(9)7-17(15,16)14-6-2-5-13;/h1,3-4,14H,2,5-7,13H2;1H
InChIKeyJXIVQABNYQHXIB-UHFFFAOYSA-N
MW333.67 g/mol
LogP2.18
Rot. Bonds6

About N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride

N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride (PubChem CID 86780581) has the molecular formula C10H15Cl3N2O2S and a molecular weight of 333.67 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
PubChem CID86780581
Molecular FormulaC10H15Cl3N2O2S
Molecular Weight333.67 g/mol
Exact Mass331.99
IUPAC NameN-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
SMILESCl.NCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c11-9-3-1-4-10(12)8(9)7-17(15,16)14-6-2-5-13;/h1,3-4,14H,2,5-7,13H2;1H
InChIKeyJXIVQABNYQHXIB-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 52.18
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-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 120583362
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride (CID 86780581) is N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride is Cl.NCCCNS(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is JXIVQABNYQHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S.ClH/c11-9-3-1-4-10(12)8(9)7-17(15,16)14-6-2-5-13;/h1,3-4,14H,2,5-7,13H2;1H.
What are the key properties of N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride?
N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 333.67 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 86780581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).