1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide

C14H14Cl2N2O2S — CID 106037003

IUPAC1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-4-5-13(16)14(7-12)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2
InChIKeyHSVGYHQSIWRGAN-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.39
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide (PubChem CID 106037003) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
PubChem CID106037003
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
SMILESNCc1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H14Cl2N2O2S/c15-12-4-5-13(16)14(7-12)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2
InChIKeyHSVGYHQSIWRGAN-UHFFFAOYSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide 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

1-(4-chlorophenyl)-N-(2,5-dichlorophenyl)methanesulfonamide
CID 18891286
1-[4-(aminomethyl)phenyl]-N-(2,4-dichlorophenyl)methanesulfonamide
CID 106057447
1-[3-(aminomethyl)phenyl]-N-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 106083603
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
CID 106076529
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide (CID 106037003) is 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide is NCc1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
The InChIKey is HSVGYHQSIWRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c15-12-4-5-13(16)14(7-12)18-21(19,20)9-11-3-1-2-10(6-11)8-17/h1-7,18H,8-9,17H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 106037003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).