3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C20H21F3N4O4S — CID 118469816

IUPAC3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(F)(F)F)no2)c1
InChIInChI=1S/C20H21F3N4O4S/c1-11-4-5-13(32(29,30)26-10-19(2,3)28)7-14(11)12-6-15(18(24)25-9-12)16-8-17(27-31-16)20(21,22)23/h4-9,26,28H,10H2,1-3H3,(H2,24,25)
InChIKeyFJWYPPVOAUXKBU-UHFFFAOYSA-N
MW470.47 g/mol
LogP3.36
Rot. Bonds6

About 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118469816) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118469816
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(F)(F)F)no2)c1
InChIInChI=1S/C20H21F3N4O4S/c1-11-4-5-13(32(29,30)26-10-19(2,3)28)7-14(11)12-6-15(18(24)25-9-12)16-8-17(27-31-16)20(21,22)23/h4-9,26,28H,10H2,1-3H3,(H2,24,25)
InChIKeyFJWYPPVOAUXKBU-UHFFFAOYSA-N
XLogP3.36
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118469816) is 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1-c1cnc(N)c(-c2cc(C(F)(F)F)no2)c1.
What is the InChIKey of 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is FJWYPPVOAUXKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c1-11-4-5-13(32(29,30)26-10-19(2,3)28)7-14(11)12-6-15(18(24)25-9-12)16-8-17(27-31-16)20(21,22)23/h4-9,26,28H,10H2,1-3H3,(H2,24,25).
What are the key properties of 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 470.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118469816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).