4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine

C18H19ClN2O4S — CID 146173345

IUPAC4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine
SMILESO=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)C1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O4S/c19-17-11-13(12-18(20-17)21-6-9-24-10-7-21)26(22,23)16-5-8-25-15-4-2-1-3-14(15)16/h1-4,11-12,16H,5-10H2
InChIKeyTZZAFJKVAUUMPK-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.87
Rot. Bonds3

About 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine

4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine (PubChem CID 146173345) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine
PubChem CID146173345
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine
SMILESO=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)C1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O4S/c19-17-11-13(12-18(20-17)21-6-9-24-10-7-21)26(22,23)16-5-8-25-15-4-2-1-3-14(15)16/h1-4,11-12,16H,5-10H2
InChIKeyTZZAFJKVAUUMPK-UHFFFAOYSA-N
XLogP2.87
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine (CID 146173345) is 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine is O=S(=O)(c1cc(Cl)nc(N2CCOCC2)c1)C1CCOc2ccccc21.
What is the InChIKey of 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine?
The InChIKey is TZZAFJKVAUUMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-17-11-13(12-18(20-17)21-6-9-24-10-7-21)26(22,23)16-5-8-25-15-4-2-1-3-14(15)16/h1-4,11-12,16H,5-10H2.
What are the key properties of 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine?
4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine has a molecular weight of 394.88 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 146173345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).