N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide

C13H17N3O4S — CID 16764818

IUPACN-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide
SMILESO=C1CNc2cc(NS(=O)(=O)N3CCCCC3)ccc2O1
InChIInChI=1S/C13H17N3O4S/c17-13-9-14-11-8-10(4-5-12(11)20-13)15-21(18,19)16-6-2-1-3-7-16/h4-5,8,14-15H,1-3,6-7,9H2
InChIKeyBLCQJQGZOKLTSH-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.16
Rot. Bonds3

About N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide

N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide (PubChem CID 16764818) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide
PubChem CID16764818
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide
SMILESO=C1CNc2cc(NS(=O)(=O)N3CCCCC3)ccc2O1
InChIInChI=1S/C13H17N3O4S/c17-13-9-14-11-8-10(4-5-12(11)20-13)15-21(18,19)16-6-2-1-3-7-16/h4-5,8,14-15H,1-3,6-7,9H2
InChIKeyBLCQJQGZOKLTSH-UHFFFAOYSA-N
XLogP1.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide (CID 16764818) is N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide is O=C1CNc2cc(NS(=O)(=O)N3CCCCC3)ccc2O1.
What is the InChIKey of N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide?
The InChIKey is BLCQJQGZOKLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c17-13-9-14-11-8-10(4-5-12(11)20-13)15-21(18,19)16-6-2-1-3-7-16/h4-5,8,14-15H,1-3,6-7,9H2.
What are the key properties of N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide?
N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 16764818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).