N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride

C13H20BrClN2O4S — CID 120582550

IUPACN-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(N)C2CC2)cc1Br.Cl
InChIInChI=1S/C13H19BrN2O4S.ClH/c1-19-11-6-12(20-2)13(5-9(11)14)21(17,18)16-7-10(15)8-3-4-8;/h5-6,8,10,16H,3-4,7,15H2,1-2H3;1H
InChIKeyVTVHSVGUCRFBPW-UHFFFAOYSA-N
MW415.74 g/mol
LogP1.90
Rot. Bonds7

About N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride

N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 120582550) has the molecular formula C13H20BrClN2O4S and a molecular weight of 415.74 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID120582550
Molecular FormulaC13H20BrClN2O4S
Molecular Weight415.74 g/mol
Exact Mass414.00
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(OC)c(S(=O)(=O)NCC(N)C2CC2)cc1Br.Cl
InChIInChI=1S/C13H19BrN2O4S.ClH/c1-19-11-6-12(20-2)13(5-9(11)14)21(17,18)16-7-10(15)8-3-4-8;/h5-6,8,10,16H,3-4,7,15H2,1-2H3;1H
InChIKeyVTVHSVGUCRFBPW-UHFFFAOYSA-N
XLogP1.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.74
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;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-aminobutyl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119972818
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-(3-aminobutyl)-4-bromo-2,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120708603
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide
CID 120582490
N-(2-amino-2-cyclopropylethyl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 120713286
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
5-bromo-2,4-dimethoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721839

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride (CID 120582550) is N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride is COc1cc(OC)c(S(=O)(=O)NCC(N)C2CC2)cc1Br.Cl.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is VTVHSVGUCRFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S.ClH/c1-19-11-6-12(20-2)13(5-9(11)14)21(17,18)16-7-10(15)8-3-4-8;/h5-6,8,10,16H,3-4,7,15H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 415.74 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-bromo-2,4-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).