N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide

C15H14N2O4S — CID 110713456

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCC1Oc2cccc(NS(=O)(=O)c3ccccc3)c2NC1=O
InChIInChI=1S/C15H14N2O4S/c1-10-15(18)16-14-12(8-5-9-13(14)21-10)17-22(19,20)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,16,18)
InChIKeyQYUNNYLULKGGRY-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.21
Rot. Bonds3

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide (PubChem CID 110713456) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
PubChem CID110713456
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCC1Oc2cccc(NS(=O)(=O)c3ccccc3)c2NC1=O
InChIInChI=1S/C15H14N2O4S/c1-10-15(18)16-14-12(8-5-9-13(14)21-10)17-22(19,20)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,16,18)
InChIKeyQYUNNYLULKGGRY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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]benzenesulfonamide
CID 110783688
2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
CID 82275003
3-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 18092923
2-methyl-5-pyrrolidin-1-yl-4H-1,4-benzoxazin-3-one
CID 168513850
3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713436
2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
CID 110742135
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
3-cyano-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844776
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
N-[2-(3-oxo-1H-2-benzofuran-1-yl)phenyl]benzenesulfonamide
CID 59485442
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713428

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide (CID 110713456) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide is CC1Oc2cccc(NS(=O)(=O)c3ccccc3)c2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
The InChIKey is QYUNNYLULKGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-15(18)16-14-12(8-5-9-13(14)21-10)17-22(19,20)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,16,18).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.21, 3 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-5-yl)benzenesulfonamide is sourced from PubChem (CID 110713456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).