N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide

C17H21N3O3S — CID 113025343

IUPACN-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C17H21N3O3S/c21-24(22,13-8-15-4-2-1-3-5-15)19-17-7-6-16(14-18-17)20-9-11-23-12-10-20/h1-7,14H,8-13H2,(H,18,19)
InChIKeyDOJOQSBEYLNXLS-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.90
Rot. Bonds6

About N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide

N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide (PubChem CID 113025343) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
PubChem CID113025343
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C17H21N3O3S/c21-24(22,13-8-15-4-2-1-3-5-15)19-17-7-6-16(14-18-17)20-9-11-23-12-10-20/h1-7,14H,8-13H2,(H,18,19)
InChIKeyDOJOQSBEYLNXLS-UHFFFAOYSA-N
XLogP1.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide (CID 113025343) is N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide?
The InChIKey is DOJOQSBEYLNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,13-8-15-4-2-1-3-5-15)19-17-7-6-16(14-18-17)20-9-11-23-12-10-20/h1-7,14H,8-13H2,(H,18,19).
What are the key properties of N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide?
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 113025343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).