N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

C13H20Cl2N2O3S — CID 120706224

IUPACN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H
InChIKeyBHERRMLNFQTFSQ-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.18
Rot. Bonds7

About N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120706224) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
PubChem CID120706224
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC NameN-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H
InChIKeyBHERRMLNFQTFSQ-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;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-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (CID 120706224) is N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BHERRMLNFQTFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S.ClH/c14-11-4-5-12(19-9-10-2-1-3-10)13(8-11)20(17,18)16-7-6-15;/h4-5,8,10,16H,1-3,6-7,9,15H2;1H.
What are the key properties of N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 355.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).