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

C16H16N2O4S — CID 110783688

IUPACN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
SMILESCC1Oc2ccc(CNS(=O)(=O)c3ccccc3)cc2NC1=O
InChIInChI=1S/C16H16N2O4S/c1-11-16(19)18-14-9-12(7-8-15(14)22-11)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,11,17H,10H2,1H3,(H,18,19)
InChIKeyGQQIEAOSXPTXHT-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.88
Rot. Bonds4

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

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide (PubChem CID 110783688) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
PubChem CID110783688
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
SMILESCC1Oc2ccc(CNS(=O)(=O)c3ccccc3)cc2NC1=O
InChIInChI=1S/C16H16N2O4S/c1-11-16(19)18-14-9-12(7-8-15(14)22-11)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,11,17H,10H2,1H3,(H,18,19)
InChIKeyGQQIEAOSXPTXHT-UHFFFAOYSA-N
XLogP1.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thiophene-2-sulfonamide
CID 110783690
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962904
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194667
6-[(azetidin-3-ylmethylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115207554
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
6-[(cyclobutylamino)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82498131
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylmethanesulfonamide
CID 8844758
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-propylbenzenesulfonamide
CID 8844714
(2S)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831049

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide (CID 110783688) is N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide is CC1Oc2ccc(CNS(=O)(=O)c3ccccc3)cc2NC1=O.
What is the InChIKey of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is GQQIEAOSXPTXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-16(19)18-14-9-12(7-8-15(14)22-11)10-17-23(20,21)13-5-3-2-4-6-13/h2-9,11,17H,10H2,1H3,(H,18,19).
What are the key properties of N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide?
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110783688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).