N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

C17H19F2N3O3S — CID 9107718

IUPACN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O3S/c1-12(13-2-4-15(18)16(19)10-13)21-17-5-3-14(11-20-17)26(23,24)22-6-8-25-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyCSENCTXORQERQF-LBPRGKRZSA-N
MW383.42 g/mol
LogP2.55
Rot. Bonds5

About N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 9107718) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID9107718
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O3S/c1-12(13-2-4-15(18)16(19)10-13)21-17-5-3-14(11-20-17)26(23,24)22-6-8-25-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyCSENCTXORQERQF-LBPRGKRZSA-N
XLogP2.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 9107718) is N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is CSENCTXORQERQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-12(13-2-4-15(18)16(19)10-13)21-17-5-3-14(11-20-17)26(23,24)22-6-8-25-9-7-22/h2-5,10-12H,6-9H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 383.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 9107718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).