N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide

C20H14N2O4S — CID 1037220

IUPACN-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14N2O4S/c23-20-16-11-5-6-12-17(16)21-19(26-20)15-10-4-7-13-18(15)22-27(24,25)14-8-2-1-3-9-14/h1-13,22H
InChIKeyHFLJZGUOTHQWKM-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.66
Rot. Bonds4

About N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide

N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 1037220) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
PubChem CID1037220
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC NameN-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14N2O4S/c23-20-16-11-5-6-12-17(16)21-19(26-20)15-10-4-7-13-18(15)22-27(24,25)14-8-2-1-3-9-14/h1-13,22H
InChIKeyHFLJZGUOTHQWKM-UHFFFAOYSA-N
XLogP3.66
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (CID 1037220) is N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is O=c1oc(-c2ccccc2NS(=O)(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HFLJZGUOTHQWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-20-16-11-5-6-12-17(16)21-19(26-20)15-10-4-7-13-18(15)22-27(24,25)14-8-2-1-3-9-14/h1-13,22H.
What are the key properties of N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 378.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1037220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).