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

C20H13ClN2O4S — CID 2732124

IUPAC4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H13ClN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H
InChIKeyHIDYCHLBCNSHSG-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.31
Rot. Bonds4

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

4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 2732124) has the molecular formula C20H13ClN2O4S and a molecular weight of 412.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
PubChem CID2732124
Molecular FormulaC20H13ClN2O4S
Molecular Weight412.85 g/mol
Exact Mass412.03
IUPAC Name4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C20H13ClN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H
InChIKeyHIDYCHLBCNSHSG-UHFFFAOYSA-N
XLogP4.31
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (CID 2732124) is 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HIDYCHLBCNSHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H.
What are the key properties of 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 412.85 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2732124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).