methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride

C14H22Cl2N2O4S — CID 119981323

IUPACmethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C14H21ClN2O4S.ClH/c1-4-14(5-2,9-16)17-22(19,20)12-7-10(13(18)21-3)6-11(15)8-12;/h6-8,17H,4-5,9,16H2,1-3H3;1H
InChIKeyBBZZQRAIJNLCCS-UHFFFAOYSA-N
MW385.31 g/mol
LogP2.34
Rot. Bonds7

About methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride

methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride (PubChem CID 119981323) has the molecular formula C14H22Cl2N2O4S and a molecular weight of 385.31 g/mol. Its IUPAC name is methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride
PubChem CID119981323
Molecular FormulaC14H22Cl2N2O4S
Molecular Weight385.31 g/mol
Exact Mass384.07
IUPAC Namemethyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride
SMILESCCC(CC)(CN)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1.Cl
InChIInChI=1S/C14H21ClN2O4S.ClH/c1-4-14(5-2,9-16)17-22(19,20)12-7-10(13(18)21-3)6-11(15)8-12;/h6-8,17H,4-5,9,16H2,1-3H3;1H
InChIKeyBBZZQRAIJNLCCS-UHFFFAOYSA-N
XLogP2.34
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;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

dimethyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119985198
dimethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119989930
N-[3-(aminomethyl)pentan-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 63888398
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119981261
N-(1-amino-2-methylpropan-2-yl)-3,5-dichlorobenzenesulfonamide
CID 63194668
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
4-[3-(aminomethyl)pentan-3-ylsulfamoyl]-N,N-dimethylbenzamide
CID 120710324
N-[3-(aminomethyl)pentan-3-yl]-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119981229
methyl 5-[3-(aminomethyl)pentan-3-ylsulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119981396
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride (CID 119981323) is methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride is CCC(CC)(CN)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1.Cl.
What is the InChIKey of methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride?
The InChIKey is BBZZQRAIJNLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S.ClH/c1-4-14(5-2,9-16)17-22(19,20)12-7-10(13(18)21-3)6-11(15)8-12;/h6-8,17H,4-5,9,16H2,1-3H3;1H.
What are the key properties of methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride?
methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride has a molecular weight of 385.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(aminomethyl)pentan-3-ylsulfamoyl]-5-chlorobenzoate;hydrochloride is sourced from PubChem (CID 119981323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).