4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

C23H24N4O4S — CID 50913283

IUPAC4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H24N4O4S/c28-23(26-20-2-1-11-24-17-20)19-5-3-18(4-6-19)16-25-32(29,30)22-9-7-21(8-10-22)27-12-14-31-15-13-27/h1-11,17,25H,12-16H2,(H,26,28)
InChIKeyPMMDCIQHXDHNKX-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.65
Rot. Bonds7

About 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide

4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (PubChem CID 50913283) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
PubChem CID50913283
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C23H24N4O4S/c28-23(26-20-2-1-11-24-17-20)19-5-3-18(4-6-19)16-25-32(29,30)22-9-7-21(8-10-22)27-12-14-31-15-13-27/h1-11,17,25H,12-16H2,(H,26,28)
InChIKeyPMMDCIQHXDHNKX-UHFFFAOYSA-N
XLogP2.65
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide (CID 50913283) is 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(CNS(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is PMMDCIQHXDHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c28-23(26-20-2-1-11-24-17-20)19-5-3-18(4-6-19)16-25-32(29,30)22-9-7-21(8-10-22)27-12-14-31-15-13-27/h1-11,17,25H,12-16H2,(H,26,28).
What are the key properties of 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide?
4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 452.54 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 50913283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).