N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

C15H22Cl2N2O4S — CID 120585133

IUPACN-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C1CCCC1
InChIInChI=1S/C15H21ClN2O4S.ClH/c16-11-7-13-14(22-6-5-21-13)8-15(11)23(19,20)18-12(9-17)10-3-1-2-4-10;/h7-8,10,12,18H,1-6,9,17H2;1H
InChIKeyOFOHULGJUMQJKG-UHFFFAOYSA-N
MW397.32 g/mol
LogP2.33
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (PubChem CID 120585133) has the molecular formula C15H22Cl2N2O4S and a molecular weight of 397.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
PubChem CID120585133
Molecular FormulaC15H22Cl2N2O4S
Molecular Weight397.32 g/mol
Exact Mass396.07
IUPAC NameN-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C1CCCC1
InChIInChI=1S/C15H21ClN2O4S.ClH/c16-11-7-13-14(22-6-5-21-13)8-15(11)23(19,20)18-12(9-17)10-3-1-2-4-10;/h7-8,10,12,18H,1-6,9,17H2;1H
InChIKeyOFOHULGJUMQJKG-UHFFFAOYSA-N
XLogP2.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-1-cyclopentylethyl)-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120585219
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide;hydrochloride
CID 120585220
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119986897
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (CID 120585133) is N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The InChIKey is OFOHULGJUMQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S.ClH/c16-11-7-13-14(22-6-5-21-13)8-15(11)23(19,20)18-12(9-17)10-3-1-2-4-10;/h7-8,10,12,18H,1-6,9,17H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride has a molecular weight of 397.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is sourced from PubChem (CID 120585133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).