N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

C13H19BrCl2N2O3S — CID 119985656

IUPACN-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H18BrClN2O3S.ClH/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)17-11-4-2-3-8(11)7-16;/h5-6,8,11,17H,2-4,7,16H2,1H3;1H
InChIKeyQLXFGGXTPJENAG-UHFFFAOYSA-N
MW434.18 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119985656) has the molecular formula C13H19BrCl2N2O3S and a molecular weight of 434.18 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID119985656
Molecular FormulaC13H19BrCl2N2O3S
Molecular Weight434.18 g/mol
Exact Mass431.97
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C13H18BrClN2O3S.ClH/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)17-11-4-2-3-8(11)7-16;/h5-6,8,11,17H,2-4,7,16H2,1H3;1H
InChIKeyQLXFGGXTPJENAG-UHFFFAOYSA-N
XLogP2.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.18
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (CID 119985656) is N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is QLXFGGXTPJENAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S.ClH/c1-20-13-10(14)5-9(15)6-12(13)21(18,19)17-11-4-2-3-8(11)7-16;/h5-6,8,11,17H,2-4,7,16H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 434.18 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119985656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).