N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride

C12H18BrClN2O3S — CID 119986999

IUPACN-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(S(=O)(=O)NC(CN)C2CC2)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O3S.ClH/c1-18-12-6-9(4-5-10(12)13)19(16,17)15-11(7-14)8-2-3-8;/h4-6,8,11,15H,2-3,7,14H2,1H3;1H
InChIKeyDZKYZSRYEFWFAG-UHFFFAOYSA-N
MW385.71 g/mol
LogP1.90
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119986999) has the molecular formula C12H18BrClN2O3S and a molecular weight of 385.71 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
PubChem CID119986999
Molecular FormulaC12H18BrClN2O3S
Molecular Weight385.71 g/mol
Exact Mass383.99
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1cc(S(=O)(=O)NC(CN)C2CC2)ccc1Br.Cl
InChIInChI=1S/C12H17BrN2O3S.ClH/c1-18-12-6-9(4-5-10(12)13)19(16,17)15-11(7-14)8-2-3-8;/h4-6,8,11,15H,2-3,7,14H2,1H3;1H
InChIKeyDZKYZSRYEFWFAG-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
N-(2-amino-1-cyclopropylethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 120875335
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
N-(2-amino-1-cyclopropylethyl)-2-methyl-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 119986962
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride (CID 119986999) is N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride is COc1cc(S(=O)(=O)NC(CN)C2CC2)ccc1Br.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is DZKYZSRYEFWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S.ClH/c1-18-12-6-9(4-5-10(12)13)19(16,17)15-11(7-14)8-2-3-8;/h4-6,8,11,15H,2-3,7,14H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 385.71 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).