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

C15H24Cl2N2O4S — CID 119985285

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2.Cl
InChIInChI=1S/C15H23ClN2O4S.ClH/c1-10(2)8-15(3,9-17)18-23(19,20)14-7-13-12(6-11(14)16)21-4-5-22-13;/h6-7,10,18H,4-5,8-9,17H2,1-3H3;1H
InChIKeyMFMMLSDNROZFDV-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.57
Rot. Bonds6

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

N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (PubChem CID 119985285) has the molecular formula C15H24Cl2N2O4S and a molecular weight of 399.34 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
PubChem CID119985285
Molecular FormulaC15H24Cl2N2O4S
Molecular Weight399.34 g/mol
Exact Mass398.08
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCC(C)CC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2.Cl
InChIInChI=1S/C15H23ClN2O4S.ClH/c1-10(2)8-15(3,9-17)18-23(19,20)14-7-13-12(6-11(14)16)21-4-5-22-13;/h6-7,10,18H,4-5,8-9,17H2,1-3H3;1H
InChIKeyMFMMLSDNROZFDV-UHFFFAOYSA-N
XLogP2.57
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 115310018
N-(3-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119972671
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluorobenzenesulfonamide
CID 119985170
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-amino-2,4-dimethylpentan-2-yl)benzenesulfonamide;hydrochloride
CID 84591010
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromobenzenesulfonamide;hydrochloride
CID 119985372
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 119597417
1-amino-2,4-dimethyl-2-(sulfamoylamino)pentane
CID 114959433
N-[3-(aminomethyl)pentan-3-yl]-6-bromo-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119981178
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
CID 114811263

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (CID 119985285) is N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is CC(C)CC(C)(CN)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The InChIKey is MFMMLSDNROZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S.ClH/c1-10(2)8-15(3,9-17)18-23(19,20)14-7-13-12(6-11(14)16)21-4-5-22-13;/h6-7,10,18H,4-5,8-9,17H2,1-3H3;1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride has a molecular weight of 399.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119985285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).