2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide

C19H16FN3O3S — CID 90313463

IUPAC2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1
InChIInChI=1S/C19H16FN3O3S/c20-16-9-12(15-3-1-2-4-18(15)27(21,24)25)5-6-14(16)13-10-17-19(23-11-13)22-7-8-26-17/h1-6,9-11H,7-8H2,(H,22,23)(H2,21,24,25)
InChIKeyZQQOTBZCBMBHGP-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.01
Rot. Bonds3

About 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide

2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide (PubChem CID 90313463) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
PubChem CID90313463
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1
InChIInChI=1S/C19H16FN3O3S/c20-16-9-12(15-3-1-2-4-18(15)27(21,24)25)5-6-14(16)13-10-17-19(23-11-13)22-7-8-26-17/h1-6,9-11H,7-8H2,(H,22,23)(H2,21,24,25)
InChIKeyZQQOTBZCBMBHGP-UHFFFAOYSA-N
XLogP3.01
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide (CID 90313463) is 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The InChIKey is ZQQOTBZCBMBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-16-9-12(15-3-1-2-4-18(15)27(21,24)25)5-6-14(16)13-10-17-19(23-11-13)22-7-8-26-17/h1-6,9-11H,7-8H2,(H,22,23)(H2,21,24,25).
What are the key properties of 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 90313463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).