N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C18H18N2O4S — CID 110404453

IUPACN-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=C1Nc2ccccc2OC1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N2O4S/c21-18-17(24-16-7-2-1-6-15(16)20-18)11-19-25(22,23)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,17,19H,3-5,11H2,(H,20,21)
InChIKeyWQSLCAOQVGAJJZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.85
Rot. Bonds4

About N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 110404453) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID110404453
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=C1Nc2ccccc2OC1CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N2O4S/c21-18-17(24-16-7-2-1-6-15(16)20-18)11-19-25(22,23)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,17,19H,3-5,11H2,(H,20,21)
InChIKeyWQSLCAOQVGAJJZ-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

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Related Compounds

2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404413
3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110404443
N,2-diethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355179
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 103815248
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136147
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136241
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 126783071
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
2-ethyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355158

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 110404453) is N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=C1Nc2ccccc2OC1CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is WQSLCAOQVGAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-18-17(24-16-7-2-1-6-15(16)20-18)11-19-25(22,23)14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10,17,19H,3-5,11H2,(H,20,21).
What are the key properties of N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 110404453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).