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

C17H17N3O3S — CID 162798396

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COCc2nc3ccccc3n21)c1ccccc1
InChIInChI=1S/C17H17N3O3S/c21-24(22,14-6-2-1-3-7-14)18-10-13-11-23-12-17-19-15-8-4-5-9-16(15)20(13)17/h1-9,13,18H,10-12H2
InChIKeyCJUKKQZBOWAMJB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.09
Rot. Bonds4

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

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide (PubChem CID 162798396) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide
PubChem CID162798396
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COCc2nc3ccccc3n21)c1ccccc1
InChIInChI=1S/C17H17N3O3S/c21-24(22,14-6-2-1-3-7-14)18-10-13-11-23-12-17-19-15-8-4-5-9-16(15)20(13)17/h1-9,13,18H,10-12H2
InChIKeyCJUKKQZBOWAMJB-UHFFFAOYSA-N
XLogP2.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.09
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-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide (CID 162798396) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1COCc2nc3ccccc3n21)c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is CJUKKQZBOWAMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-24(22,14-6-2-1-3-7-14)18-10-13-11-23-12-17-19-15-8-4-5-9-16(15)20(13)17/h1-9,13,18H,10-12H2.
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.09, 4 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-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 162798396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).