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

C23H24FN3O3S — CID 90313257

IUPACN-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1
InChIInChI=1S/C23H24FN3O3S/c1-23(2,3)27-31(28,29)21-7-5-4-6-18(21)15-8-9-17(19(24)12-15)16-13-20-22(26-14-16)25-10-11-30-20/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyMKOLBGFWFWZGSN-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.44
Rot. Bonds4

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

N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide (PubChem CID 90313257) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
PubChem CID90313257
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC NameN-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1
InChIInChI=1S/C23H24FN3O3S/c1-23(2,3)27-31(28,29)21-7-5-4-6-18(21)15-8-9-17(19(24)12-15)16-13-20-22(26-14-16)25-10-11-30-20/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyMKOLBGFWFWZGSN-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide (CID 90313257) is N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1.
What is the InChIKey of N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
The InChIKey is MKOLBGFWFWZGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-23(2,3)27-31(28,29)21-7-5-4-6-18(21)15-8-9-17(19(24)12-15)16-13-20-22(26-14-16)25-10-11-30-20/h4-9,12-14,27H,10-11H2,1-3H3,(H,25,26).
What are the key properties of N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide?
N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 90313257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).