N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride

C13H21Cl3N2O3S — CID 119991685

IUPACN-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)CN)cc1Cl.Cl
InChIInChI=1S/C13H20Cl2N2O3S.ClH/c1-13(2,7-16)8-17(3)21(18,19)12-6-9(14)11(20-4)5-10(12)15;/h5-6H,7-8,16H2,1-4H3;1H
InChIKeyDLEXOABIWXCQGB-UHFFFAOYSA-N
MW391.75 g/mol
LogP3.03
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119991685) has the molecular formula C13H21Cl3N2O3S and a molecular weight of 391.75 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119991685
Molecular FormulaC13H21Cl3N2O3S
Molecular Weight391.75 g/mol
Exact Mass390.03
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)CN)cc1Cl.Cl
InChIInChI=1S/C13H20Cl2N2O3S.ClH/c1-13(2,7-16)8-17(3)21(18,19)12-6-9(14)11(20-4)5-10(12)15;/h5-6H,7-8,16H2,1-4H3;1H
InChIKeyDLEXOABIWXCQGB-UHFFFAOYSA-N
XLogP3.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;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-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119991442
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-methyl-4-nitrobenzenesulfonamide
CID 79645775
methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
CID 120712229
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712215
N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 120712190
N-(3-amino-2,2-dimethylpropyl)-3-methoxy-N-methylthiophene-2-sulfonamide
CID 119991716
methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119991707
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
CID 935451
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride (CID 119991685) is N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride is COc1cc(Cl)c(S(=O)(=O)N(C)CC(C)(C)CN)cc1Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is DLEXOABIWXCQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O3S.ClH/c1-13(2,7-16)8-17(3)21(18,19)12-6-9(14)11(20-4)5-10(12)15;/h5-6H,7-8,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 391.75 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).