3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide

C18H18F2N4O3S — CID 118469814

IUPAC3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(F)F)ccc3C)cnc2N)on1
InChIInChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
InChIKeyHMEBOKIRXYGIPL-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.15
Rot. Bonds6

About 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide (PubChem CID 118469814) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
PubChem CID118469814
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(F)F)ccc3C)cnc2N)on1
InChIInChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22)
InChIKeyHMEBOKIRXYGIPL-UHFFFAOYSA-N
XLogP3.15
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide (CID 118469814) is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide is Cc1cc(-c2cc(-c3cc(S(=O)(=O)NCC(F)F)ccc3C)cnc2N)on1.
What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide?
The InChIKey is HMEBOKIRXYGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c1-10-3-4-13(28(25,26)23-9-17(19)20)7-14(10)12-6-15(18(21)22-8-12)16-5-11(2)24-27-16/h3-8,17,23H,9H2,1-2H3,(H2,21,22).
What are the key properties of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide?
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide has a molecular weight of 408.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-N-(2,2-difluoroethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118469814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).