3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide

C19H16N4O4S — CID 10430851

IUPAC3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)c1
InChIInChI=1S/C19H16N4O4S/c20-28(25,26)15-3-1-2-14(10-15)22-18-9-13(6-7-21-18)12-4-5-17-16(8-12)23-19(24)11-27-17/h1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyWOAYABYSFYNKCR-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.47
Rot. Bonds4

About 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide

3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 10430851) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
PubChem CID10430851
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)c1
InChIInChI=1S/C19H16N4O4S/c20-28(25,26)15-3-1-2-14(10-15)22-18-9-13(6-7-21-18)12-4-5-17-16(8-12)23-19(24)11-27-17/h1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKeyWOAYABYSFYNKCR-UHFFFAOYSA-N
XLogP2.47
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide (CID 10430851) is 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2cc(-c3ccc4c(c3)NC(=O)CO4)ccn2)c1.
What is the InChIKey of 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is WOAYABYSFYNKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c20-28(25,26)15-3-1-2-14(10-15)22-18-9-13(6-7-21-18)12-4-5-17-16(8-12)23-19(24)11-27-17/h1-10H,11H2,(H,21,22)(H,23,24)(H2,20,25,26).
What are the key properties of 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide?
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 396.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 10430851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).