4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide

C19H19FN4O2S — CID 113028585

IUPAC4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H19FN4O2S/c1-24(13-10-15-8-11-21-12-9-15)17-4-7-19(22-14-17)23-27(25,26)18-5-2-16(20)3-6-18/h2-9,11-12,14H,10,13H2,1H3,(H,22,23)
InChIKeyXKNNZUXCIYEHNE-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.10
Rot. Bonds7

About 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide

4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113028585) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
PubChem CID113028585
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1
InChIInChI=1S/C19H19FN4O2S/c1-24(13-10-15-8-11-21-12-9-15)17-4-7-19(22-14-17)23-27(25,26)18-5-2-16(20)3-6-18/h2-9,11-12,14H,10,13H2,1H3,(H,22,23)
InChIKeyXKNNZUXCIYEHNE-UHFFFAOYSA-N
XLogP3.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983750
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113042890
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
N-[4-(dimethylamino)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 61051789
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide (CID 113028585) is 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide is CN(CCc1ccncc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)nc1.
What is the InChIKey of 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is XKNNZUXCIYEHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c1-24(13-10-15-8-11-21-12-9-15)17-4-7-19(22-14-17)23-27(25,26)18-5-2-16(20)3-6-18/h2-9,11-12,14H,10,13H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide?
4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113028585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).