(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine

C17H16F4N2O2S — CID 42190519

IUPAC(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H16F4N2O2S/c18-13-7-6-11(9-16(13)21)22-12-3-2-8-23(10-12)26(24,25)17-14(19)4-1-5-15(17)20/h1,4-7,9,12,22H,2-3,8,10H2/t12-/m0/s1
InChIKeyCOKRNYKHHHIMBI-LBPRGKRZSA-N
MW388.39 g/mol
LogP3.51
Rot. Bonds4

About (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine

(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine (PubChem CID 42190519) has the molecular formula C17H16F4N2O2S and a molecular weight of 388.39 g/mol. Its IUPAC name is (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine
PubChem CID42190519
Molecular FormulaC17H16F4N2O2S
Molecular Weight388.39 g/mol
Exact Mass388.09
IUPAC Name(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine
SMILESO=S(=O)(c1c(F)cccc1F)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C17H16F4N2O2S/c18-13-7-6-11(9-16(13)21)22-12-3-2-8-23(10-12)26(24,25)17-14(19)4-1-5-15(17)20/h1,4-7,9,12,22H,2-3,8,10H2/t12-/m0/s1
InChIKeyCOKRNYKHHHIMBI-LBPRGKRZSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-6-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714976
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
N-[3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42101555
N-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243785
N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876148
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 122258167
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine (CID 42190519) is (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine is O=S(=O)(c1c(F)cccc1F)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine?
The InChIKey is COKRNYKHHHIMBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16F4N2O2S/c18-13-7-6-11(9-16(13)21)22-12-3-2-8-23(10-12)26(24,25)17-14(19)4-1-5-15(17)20/h1,4-7,9,12,22H,2-3,8,10H2/t12-/m0/s1.
What are the key properties of (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine?
(3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine has a molecular weight of 388.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-difluorophenyl)-1-(2,6-difluorophenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 42190519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).