2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine

C19H17F2NO2S — CID 57338786

IUPAC2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine
SMILESCNC(c1cccc2ccccc12)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17F2NO2S/c1-22-18(17-13-7-9-14-8-5-6-12-16(14)17)19(20,21)25(23,24)15-10-3-2-4-11-15/h2-13,18,22H,1H3
InChIKeyOLVYMZUZHYMWHD-UHFFFAOYSA-N
MW361.41 g/mol
LogP4.17
Rot. Bonds5

About 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine

2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine (PubChem CID 57338786) has the molecular formula C19H17F2NO2S and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine
PubChem CID57338786
Molecular FormulaC19H17F2NO2S
Molecular Weight361.41 g/mol
Exact Mass361.09
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine
SMILESCNC(c1cccc2ccccc12)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17F2NO2S/c1-22-18(17-13-7-9-14-8-5-6-12-16(14)17)19(20,21)25(23,24)15-10-3-2-4-11-15/h2-13,18,22H,1H3
InChIKeyOLVYMZUZHYMWHD-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine 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 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine (CID 57338786) is 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine is CNC(c1cccc2ccccc12)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine?
The InChIKey is OLVYMZUZHYMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2S/c1-22-18(17-13-7-9-14-8-5-6-12-16(14)17)19(20,21)25(23,24)15-10-3-2-4-11-15/h2-13,18,22H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine?
2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine has a molecular weight of 361.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,2-difluoro-N-methyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 57338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).