N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride

C11H15Cl3N2O2S — CID 120582919

IUPACN-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyTXBFQVOYQDTCKY-UHFFFAOYSA-N
MW345.68 g/mol
LogP2.43
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride

N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 120582919) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
PubChem CID120582919
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H
InChIKeyTXBFQVOYQDTCKY-UHFFFAOYSA-N
XLogP2.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
2-amino-5-chloro-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113474885
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
CID 120713301
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115301382

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride (CID 120582919) is N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride is Cl.NC(CNS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is TXBFQVOYQDTCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S.ClH/c12-8-3-4-9(13)11(5-8)18(16,17)15-6-10(14)7-1-2-7;/h3-5,7,10,15H,1-2,6,14H2;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride has a molecular weight of 345.68 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).