N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide

C22H20Cl2N4O4S — CID 4230751

IUPACN-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1cccnc1
InChIInChI=1S/C22H20Cl2N4O4S/c23-16-3-5-18(24)19(12-16)27-33(30,31)21-13-17(26-22(29)15-2-1-7-25-14-15)4-6-20(21)28-8-10-32-11-9-28/h1-7,12-14,27H,8-11H2,(H,26,29)
InChIKeyYTUMXSPPXWLPLC-UHFFFAOYSA-N
MW507.40 g/mol
LogP4.28
Rot. Bonds6

About N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide

N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide (PubChem CID 4230751) has the molecular formula C22H20Cl2N4O4S and a molecular weight of 507.40 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide
PubChem CID4230751
Molecular FormulaC22H20Cl2N4O4S
Molecular Weight507.40 g/mol
Exact Mass506.06
IUPAC NameN-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1cccnc1
InChIInChI=1S/C22H20Cl2N4O4S/c23-16-3-5-18(24)19(12-16)27-33(30,31)21-13-17(26-22(29)15-2-1-7-25-14-15)4-6-20(21)28-8-10-32-11-9-28/h1-7,12-14,27H,8-11H2,(H,26,29)
InChIKeyYTUMXSPPXWLPLC-UHFFFAOYSA-N
XLogP4.28
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide (CID 4230751) is N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)c1cccnc1.
What is the InChIKey of N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide?
The InChIKey is YTUMXSPPXWLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O4S/c23-16-3-5-18(24)19(12-16)27-33(30,31)21-13-17(26-22(29)15-2-1-7-25-14-15)4-6-20(21)28-8-10-32-11-9-28/h1-7,12-14,27H,8-11H2,(H,26,29).
What are the key properties of N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide?
N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide has a molecular weight of 507.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4230751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).