N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride

C17H23ClN2O3S — CID 118512609

IUPACN-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CCOCc1ccccc1)c1ccccc1CN.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-23(20,21)19(17-10-6-5-9-16(17)13-18)11-12-22-14-15-7-3-2-4-8-15;/h2-10H,11-14,18H2,1H3;1H
InChIKeyBLYUKKZXOGZVFC-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride

N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride (PubChem CID 118512609) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride
PubChem CID118512609
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC NameN-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CCOCc1ccccc1)c1ccccc1CN.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-23(20,21)19(17-10-6-5-9-16(17)13-18)11-12-22-14-15-7-3-2-4-8-15;/h2-10H,11-14,18H2,1H3;1H
InChIKeyBLYUKKZXOGZVFC-UHFFFAOYSA-N
XLogP2.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride (CID 118512609) is N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)N(CCOCc1ccccc1)c1ccccc1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride?
The InChIKey is BLYUKKZXOGZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S.ClH/c1-23(20,21)19(17-10-6-5-9-16(17)13-18)11-12-22-14-15-7-3-2-4-8-15;/h2-10H,11-14,18H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-N-(2-phenylmethoxyethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 118512609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).