N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide

C22H19ClN4O6S2 — CID 67970800

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
SMILESCN1CCOc2cc(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cnc21
InChIInChI=1S/C22H19ClN4O6S2/c1-27-8-9-32-20-12-16(13-24-22(20)27)34(28,29)25-17-7-6-15(23)11-18(17)26-35(30,31)21-10-14-4-2-3-5-19(14)33-21/h2-7,10-13,25-26H,8-9H2,1H3
InChIKeyIQFYJPZARPIKIC-UHFFFAOYSA-N
MW535.00 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide (PubChem CID 67970800) has the molecular formula C22H19ClN4O6S2 and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
PubChem CID67970800
Molecular FormulaC22H19ClN4O6S2
Molecular Weight535.00 g/mol
Exact Mass534.04
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
SMILESCN1CCOc2cc(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cnc21
InChIInChI=1S/C22H19ClN4O6S2/c1-27-8-9-32-20-12-16(13-24-22(20)27)34(28,29)25-17-7-6-15(23)11-18(17)26-35(30,31)21-10-14-4-2-3-5-19(14)33-21/h2-7,10-13,25-26H,8-9H2,1H3
InChIKeyIQFYJPZARPIKIC-UHFFFAOYSA-N
XLogP3.91
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.00
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide (CID 67970800) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide is CN1CCOc2cc(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cnc21.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide?
The InChIKey is IQFYJPZARPIKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O6S2/c1-27-8-9-32-20-12-16(13-24-22(20)27)34(28,29)25-17-7-6-15(23)11-18(17)26-35(30,31)21-10-14-4-2-3-5-19(14)33-21/h2-7,10-13,25-26H,8-9H2,1H3.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide has a molecular weight of 535.00 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide is sourced from PubChem (CID 67970800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).