N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride

C10H15Cl3N2O2S — CID 120583800

IUPACN-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c11-8-4-3-5-9(12)10(8)17(15,16)14-7-2-1-6-13;/h3-5,14H,1-2,6-7,13H2;1H
InChIKeyWRWDOPYNBOKHPD-UHFFFAOYSA-N
MW333.67 g/mol
LogP2.43
Rot. Bonds6

About N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride

N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 120583800) has the molecular formula C10H15Cl3N2O2S and a molecular weight of 333.67 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
PubChem CID120583800
Molecular FormulaC10H15Cl3N2O2S
Molecular Weight333.67 g/mol
Exact Mass331.99
IUPAC NameN-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/c11-8-4-3-5-9(12)10(8)17(15,16)14-7-2-1-6-13;/h3-5,14H,1-2,6-7,13H2;1H
InChIKeyWRWDOPYNBOKHPD-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780581
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride (CID 120583800) is N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride is Cl.NCCCCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is WRWDOPYNBOKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S.ClH/c11-8-4-3-5-9(12)10(8)17(15,16)14-7-2-1-6-13;/h3-5,14H,1-2,6-7,13H2;1H.
What are the key properties of N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride?
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride has a molecular weight of 333.67 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120583800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).