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

C19H19F3N4O3S — CID 118470120

IUPAC3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCCC(F)(F)F)ccc3C)cnc2N)on1
InChIInChI=1S/C19H19F3N4O3S/c1-11-3-4-14(30(27,28)25-6-5-19(20,21)22)9-15(11)13-8-16(18(23)24-10-13)17-7-12(2)26-29-17/h3-4,7-10,25H,5-6H2,1-2H3,(H2,23,24)
InChIKeyCSEABPPVRHZLAB-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.83
Rot. Bonds6

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

3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 118470120) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID118470120
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCc1cc(-c2cc(-c3cc(S(=O)(=O)NCCC(F)(F)F)ccc3C)cnc2N)on1
InChIInChI=1S/C19H19F3N4O3S/c1-11-3-4-14(30(27,28)25-6-5-19(20,21)22)9-15(11)13-8-16(18(23)24-10-13)17-7-12(2)26-29-17/h3-4,7-10,25H,5-6H2,1-2H3,(H2,23,24)
InChIKeyCSEABPPVRHZLAB-UHFFFAOYSA-N
XLogP3.83
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 118470120) is 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is Cc1cc(-c2cc(-c3cc(S(=O)(=O)NCCC(F)(F)F)ccc3C)cnc2N)on1.
What is the InChIKey of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is CSEABPPVRHZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-11-3-4-14(30(27,28)25-6-5-19(20,21)22)9-15(11)13-8-16(18(23)24-10-13)17-7-12(2)26-29-17/h3-4,7-10,25H,5-6H2,1-2H3,(H2,23,24).
What are the key properties of 3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-[6-amino-5-(3-methyl-1,2-oxazol-5-yl)-3-pyridinyl]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 440.45 g/mol, XLogP of 3.83, 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]-4-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 118470120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).