3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine

C19H23F2N3O2S — CID 167859641

IUPAC3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNc2c(F)cncc2F)cc1
InChIInChI=1S/C19H23F2N3O2S/c1-14-4-2-3-11-24(14)27(25,26)16-7-5-15(6-8-16)9-10-23-19-17(20)12-22-13-18(19)21/h5-8,12-14H,2-4,9-11H2,1H3,(H,22,23)
InChIKeyJNSPUAPBYZPUKP-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.58
Rot. Bonds6

About 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine

3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine (PubChem CID 167859641) has the molecular formula C19H23F2N3O2S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
PubChem CID167859641
Molecular FormulaC19H23F2N3O2S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(CCNc2c(F)cncc2F)cc1
InChIInChI=1S/C19H23F2N3O2S/c1-14-4-2-3-11-24(14)27(25,26)16-7-5-15(6-8-16)9-10-23-19-17(20)12-22-13-18(19)21/h5-8,12-14H,2-4,9-11H2,1H3,(H,22,23)
InChIKeyJNSPUAPBYZPUKP-UHFFFAOYSA-N
XLogP3.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]methanesulfonamide
CID 110291803
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
2-methyl-1-(4-pentylphenyl)sulfonylpiperidine
CID 3419634
1-cyclopropyl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309157
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-butan-2-yl-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110630199
ethyl 2-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethylamino]-2-oxoacetate
CID 110291797
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine?
The IUPAC name of 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine (CID 167859641) is 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine.
What is the SMILES notation for 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine?
The canonical SMILES for 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine is CC1CCCCN1S(=O)(=O)c1ccc(CCNc2c(F)cncc2F)cc1.
What is the InChIKey of 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine?
The InChIKey is JNSPUAPBYZPUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2S/c1-14-4-2-3-11-24(14)27(25,26)16-7-5-15(6-8-16)9-10-23-19-17(20)12-22-13-18(19)21/h5-8,12-14H,2-4,9-11H2,1H3,(H,22,23).
What are the key properties of 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine?
3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine has a molecular weight of 395.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridin-4-amine is sourced from PubChem (CID 167859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).