N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide

C16H15N3O3S — CID 667181

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-23(21,13-4-2-1-3-5-13)18-12-6-7-15-14(10-12)17-16-11-22-9-8-19(15)16/h1-7,10,18H,8-9,11H2
InChIKeyDUXVRAAQXVSRGN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.37
Rot. Bonds3

About N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide (PubChem CID 667181) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide
PubChem CID667181
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c20-23(21,13-4-2-1-3-5-13)18-12-6-7-15-14(10-12)17-16-11-22-9-8-19(15)16/h1-7,10,18H,8-9,11H2
InChIKeyDUXVRAAQXVSRGN-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide (CID 667181) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide?
The InChIKey is DUXVRAAQXVSRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-23(21,13-4-2-1-3-5-13)18-12-6-7-15-14(10-12)17-16-11-22-9-8-19(15)16/h1-7,10,18H,8-9,11H2.
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)benzenesulfonamide is sourced from PubChem (CID 667181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).