2-oxo-N-piperidin-4-ylchromene-6-sulfonamide

C14H16N2O4S — CID 43603317

IUPAC2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NC3CCNCC3)ccc2o1
InChIInChI=1S/C14H16N2O4S/c17-14-4-1-10-9-12(2-3-13(10)20-14)21(18,19)16-11-5-7-15-8-6-11/h1-4,9,11,15-16H,5-8H2
InChIKeyKEQWDZBEPPVONN-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.82
Rot. Bonds3

About 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide

2-oxo-N-piperidin-4-ylchromene-6-sulfonamide (PubChem CID 43603317) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
PubChem CID43603317
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NC3CCNCC3)ccc2o1
InChIInChI=1S/C14H16N2O4S/c17-14-4-1-10-9-12(2-3-13(10)20-14)21(18,19)16-11-5-7-15-8-6-11/h1-4,9,11,15-16H,5-8H2
InChIKeyKEQWDZBEPPVONN-UHFFFAOYSA-N
XLogP0.82
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-2-oxochromene-6-sulfonamide
CID 120724998
2-oxo-N-(pyrrolidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 120721014
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
2-oxo-N-(piperidin-3-ylmethyl)chromene-6-sulfonamide;hydrochloride
CID 119968249
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
N-[(3aR,5S,6S,7aS)-6-methoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 172912664
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 10660094
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
CID 119960641
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide (CID 43603317) is 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NC3CCNCC3)ccc2o1.
What is the InChIKey of 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide?
The InChIKey is KEQWDZBEPPVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-14-4-1-10-9-12(2-3-13(10)20-14)21(18,19)16-11-5-7-15-8-6-11/h1-4,9,11,15-16H,5-8H2.
What are the key properties of 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide?
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-piperidin-4-ylchromene-6-sulfonamide is sourced from PubChem (CID 43603317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).