N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide

C16H16N2O4S — CID 6488693

IUPACN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-23(20,21)17-13-7-8-14-15(9-13)22-11-16(19)18(14)10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyDQNPWLQDLZFGMB-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.98
Rot. Bonds4

About N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide

N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide (PubChem CID 6488693) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide
PubChem CID6488693
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1
InChIInChI=1S/C16H16N2O4S/c1-23(20,21)17-13-7-8-14-15(9-13)22-11-16(19)18(14)10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3
InChIKeyDQNPWLQDLZFGMB-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 24744336
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CID 1431724
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CID 121005816
CID 121005816
CID 655939
CID 655939
CID 1455749
CID 1455749
CID 6488708
CID 6488708
CID 16299176
CID 16299176
CID 18524667
CID 18524667
CID 10215462
CID 10215462
CID 24744175
CID 24744175
CID 24744335
CID 24744335
CID 24744806
CID 24744806

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide?
The IUPAC name of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide (CID 6488693) is N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide.
What is the SMILES notation for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide?
The canonical SMILES for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1.
What is the InChIKey of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide?
The InChIKey is DQNPWLQDLZFGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-23(20,21)17-13-7-8-14-15(9-13)22-11-16(19)18(14)10-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3.
What are the key properties of N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide?
N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)methanesulfonamide is sourced from PubChem (CID 6488693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).