N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride

C8H11Cl3N2O2S — CID 119960311

IUPACN-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O2S.ClH/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyJFESCEHBTJNKJL-UHFFFAOYSA-N
MW305.61 g/mol
LogP1.65
Rot. Bonds4

About N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 119960311) has the molecular formula C8H11Cl3N2O2S and a molecular weight of 305.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
PubChem CID119960311
Molecular FormulaC8H11Cl3N2O2S
Molecular Weight305.61 g/mol
Exact Mass303.96
IUPAC NameN-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O2S.ClH/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H
InChIKeyJFESCEHBTJNKJL-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.61
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
N-(2-aminoethyl)-1-(3,4-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780512
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride (CID 119960311) is N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is JFESCEHBTJNKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O2S.ClH/c9-7-2-1-6(5-8(7)10)15(13,14)12-4-3-11;/h1-2,5,12H,3-4,11H2;1H.
What are the key properties of N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride has a molecular weight of 305.61 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).