N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C16H14N2O5S — CID 27335225

IUPACN-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1
InChIInChI=1S/C16H14N2O5S/c1-24(21,22)12-4-2-3-11(8-12)17-16(20)10-5-6-13-14(7-10)23-9-15(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyPYJFHBRUZSVLOC-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.67
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 27335225) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID27335225
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1
InChIInChI=1S/C16H14N2O5S/c1-24(21,22)12-4-2-3-11(8-12)17-16(20)10-5-6-13-14(7-10)23-9-15(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyPYJFHBRUZSVLOC-UHFFFAOYSA-N
XLogP1.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55919935
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(2-methyl-1,3-benzoxazol-5-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26702181
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
3-oxo-N-(1H-pyrazol-5-yl)-4H-1,4-benzoxazine-7-carboxamide
CID 61393673
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 31966312
N-(3-methylsulfonylphenyl)-2H-chromene-3-carboxamide
CID 26975924
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 27335225) is N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is PYJFHBRUZSVLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-24(21,22)12-4-2-3-11(8-12)17-16(20)10-5-6-13-14(7-10)23-9-15(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 27335225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).