N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide

C15H16Cl2N2O2S — CID 16660954

IUPACN-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CN)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-22(20,21)19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,9-10,18H2,1H3
InChIKeySGCPRAIJKWGXTK-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide

N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide (PubChem CID 16660954) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide
PubChem CID16660954
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC NameN-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CN)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-22(20,21)19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,9-10,18H2,1H3
InChIKeySGCPRAIJKWGXTK-UHFFFAOYSA-N
XLogP3.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide 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-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide (CID 16660954) is N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide?
The InChIKey is SGCPRAIJKWGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-22(20,21)19(13-7-5-11(9-18)6-8-13)10-12-3-2-4-14(16)15(12)17/h2-8H,9-10,18H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide?
N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide has a molecular weight of 359.28 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-[(2,3-dichlorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 16660954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).