4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide

C17H18N2O4S — CID 110778415

IUPAC4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CCO3)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-3-6-14(7-4-12)24(21,22)18-13-5-8-16-15(11-13)19(2)17(20)9-10-23-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYFCOXGRQFTYXEM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.54
Rot. Bonds3

About 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide

4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide (PubChem CID 110778415) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
PubChem CID110778415
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CCO3)cc1
InChIInChI=1S/C17H18N2O4S/c1-12-3-6-14(7-4-12)24(21,22)18-13-5-8-16-15(11-13)19(2)17(20)9-10-23-16/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYFCOXGRQFTYXEM-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 110778416
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759146
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
N,N-diethyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759162
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4783634
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 110778162
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 46970401
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide (CID 110778415) is 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)CCO3)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide?
The InChIKey is YFCOXGRQFTYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-3-6-14(7-4-12)24(21,22)18-13-5-8-16-15(11-13)19(2)17(20)9-10-23-16/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide?
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide is sourced from PubChem (CID 110778415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).