2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline

C19H24F2N4O2S — CID 133300147

IUPAC2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline
SMILESCCN1CCN(c2cc(CNc3ccccc3S(=O)(=O)C(F)F)ccn2)CC1
InChIInChI=1S/C19H24F2N4O2S/c1-2-24-9-11-25(12-10-24)18-13-15(7-8-22-18)14-23-16-5-3-4-6-17(16)28(26,27)19(20)21/h3-8,13,19,23H,2,9-12,14H2,1H3
InChIKeyCESYBDDRKAHBKN-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.83
Rot. Bonds7

About 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline

2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline (PubChem CID 133300147) has the molecular formula C19H24F2N4O2S and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline
PubChem CID133300147
Molecular FormulaC19H24F2N4O2S
Molecular Weight410.49 g/mol
Exact Mass410.16
IUPAC Name2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline
SMILESCCN1CCN(c2cc(CNc3ccccc3S(=O)(=O)C(F)F)ccn2)CC1
InChIInChI=1S/C19H24F2N4O2S/c1-2-24-9-11-25(12-10-24)18-13-15(7-8-22-18)14-23-16-5-3-4-6-17(16)28(26,27)19(20)21/h3-8,13,19,23H,2,9-12,14H2,1H3
InChIKeyCESYBDDRKAHBKN-UHFFFAOYSA-N
XLogP2.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline 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

(2S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbutan-2-amine
CID 97221084
4-acetyl-2-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methylamino]benzonitrile
CID 133457077
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(difluoromethylsulfonyl)aniline
CID 167747345
1-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-N-[(4-fluoro-1H-indol-2-yl)methyl]methanamine
CID 167766244
(1S)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 97231063
(1R)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 97221087
1-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134528
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999
3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-1-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111285876
1-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111217121

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline (CID 133300147) is 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline is CCN1CCN(c2cc(CNc3ccccc3S(=O)(=O)C(F)F)ccn2)CC1.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline?
The InChIKey is CESYBDDRKAHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2S/c1-2-24-9-11-25(12-10-24)18-13-15(7-8-22-18)14-23-16-5-3-4-6-17(16)28(26,27)19(20)21/h3-8,13,19,23H,2,9-12,14H2,1H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline?
2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline has a molecular weight of 410.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]aniline is sourced from PubChem (CID 133300147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).