3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C16H16F3N3O3S — CID 1214479

IUPAC3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESO=S(=O)(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)12-3-1-4-13(11-12)21-15-14(5-2-6-20-15)26(23,24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,20,21)
InChIKeyZNGNXOGTISSBKQ-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.86
Rot. Bonds4

About 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 1214479) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID1214479
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESO=S(=O)(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C16H16F3N3O3S/c17-16(18,19)12-3-1-4-13(11-12)21-15-14(5-2-6-20-15)26(23,24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,20,21)
InChIKeyZNGNXOGTISSBKQ-UHFFFAOYSA-N
XLogP2.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 1214479) is 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is O=S(=O)(c1cccnc1Nc1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is ZNGNXOGTISSBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-16(18,19)12-3-1-4-13(11-12)21-15-14(5-2-6-20-15)26(23,24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,20,21).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 387.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 1214479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).