2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide

C17H18N2O4S — CID 8844857

IUPAC2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1
InChIInChI=1S/C17H18N2O4S/c1-10-4-5-11(2)16(8-10)24(21,22)19-13-6-7-15-14(9-13)18-17(20)12(3)23-15/h4-9,12,19H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeySDWZEBWRSWNYKF-GFCCVEGCSA-N
MW346.41 g/mol
LogP2.82
Rot. Bonds3

About 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide

2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide (PubChem CID 8844857) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
PubChem CID8844857
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1
InChIInChI=1S/C17H18N2O4S/c1-10-4-5-11(2)16(8-10)24(21,22)19-13-6-7-15-14(9-13)18-17(20)12(3)23-15/h4-9,12,19H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeySDWZEBWRSWNYKF-GFCCVEGCSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844847
5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 84851488
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 110778186
4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43036901
4-hydroxy-2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitrobenzenesulfonamide
CID 97067745
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-2,5-dimethylbenzenesulfonamide
CID 40958759
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
2-fluoro-4,5-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 42954780
3,4-difluoro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844849
3-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 18092923
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-propylbenzenesulfonamide
CID 8844714
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8844810

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide (CID 8844857) is 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide?
The InChIKey is SDWZEBWRSWNYKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-10-4-5-11(2)16(8-10)24(21,22)19-13-6-7-15-14(9-13)18-17(20)12(3)23-15/h4-9,12,19H,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide?
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 8844857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).