N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C15H14N2O4S — CID 16615773

IUPACN-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-2-4-11(5-3-10)17-22(19,20)12-6-7-14-13(8-12)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyPCBXHGZTWYZXBH-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.13
Rot. Bonds3

About N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16615773) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16615773
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-2-4-11(5-3-10)17-22(19,20)12-6-7-14-13(8-12)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyPCBXHGZTWYZXBH-UHFFFAOYSA-N
XLogP2.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16615773) is N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is PCBXHGZTWYZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-2-4-11(5-3-10)17-22(19,20)12-6-7-14-13(8-12)16-15(18)9-21-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16615773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).