2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide

C23H19Cl2N3O4S — CID 144913092

IUPAC2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O4S/c24-17-5-2-6-18(25)21(17)23(29)27-20-10-9-19-22(26-20)28(11-12-32-19)33(30,31)16-4-1-3-15(13-16)14-7-8-14/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27,29)
InChIKeyOYMQHTZHAQSHCA-UHFFFAOYSA-N
MW504.40 g/mol
LogP5.11
Rot. Bonds5

About 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide

2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide (PubChem CID 144913092) has the molecular formula C23H19Cl2N3O4S and a molecular weight of 504.40 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
PubChem CID144913092
Molecular FormulaC23H19Cl2N3O4S
Molecular Weight504.40 g/mol
Exact Mass503.05
IUPAC Name2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
SMILESO=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O4S/c24-17-5-2-6-18(25)21(17)23(29)27-20-10-9-19-22(26-20)28(11-12-32-19)33(30,31)16-4-1-3-15(13-16)14-7-8-14/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27,29)
InChIKeyOYMQHTZHAQSHCA-UHFFFAOYSA-N
XLogP5.11
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.40
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide (CID 144913092) is 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide is O=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(C3CC3)c1)CCO2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?
The InChIKey is OYMQHTZHAQSHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4S/c24-17-5-2-6-18(25)21(17)23(29)27-20-10-9-19-22(26-20)28(11-12-32-19)33(30,31)16-4-1-3-15(13-16)14-7-8-14/h1-6,9-10,13-14H,7-8,11-12H2,(H,26,27,29).
What are the key properties of 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide?
2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide has a molecular weight of 504.40 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide is sourced from PubChem (CID 144913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).