4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide

C12H16ClN3O4S — CID 83098838

IUPAC4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H16ClN3O4S/c1-2-14-12(17)10-8-20-6-5-16(10)21(18,19)9-3-4-15-11(13)7-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyXSUXRHBMSHERTJ-UHFFFAOYSA-N
MW333.80 g/mol
LogP0.26
Rot. Bonds4

About 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide

4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83098838) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83098838
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Name4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H16ClN3O4S/c1-2-14-12(17)10-8-20-6-5-16(10)21(18,19)9-3-4-15-11(13)7-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyXSUXRHBMSHERTJ-UHFFFAOYSA-N
XLogP0.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide (CID 83098838) is 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is XSUXRHBMSHERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-2-14-12(17)10-8-20-6-5-16(10)21(18,19)9-3-4-15-11(13)7-9/h3-4,7,10H,2,5-6,8H2,1H3,(H,14,17).
What are the key properties of 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide?
4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 333.80 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).