N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C16H16Cl2N2O5S — CID 71548156

IUPACN-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C16H16Cl2N2O5S/c1-20-7-5-11(14(21)16(20)23)15(22)19-6-2-8-26(24,25)10-3-4-12(17)13(18)9-10/h3-5,7,9,21H,2,6,8H2,1H3,(H,19,22)
InChIKeyHVZHAMGZTKAVHG-UHFFFAOYSA-N
MW419.29 g/mol
LogP1.99
Rot. Bonds6

About N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71548156) has the molecular formula C16H16Cl2N2O5S and a molecular weight of 419.29 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71548156
Molecular FormulaC16H16Cl2N2O5S
Molecular Weight419.29 g/mol
Exact Mass418.02
IUPAC NameN-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C16H16Cl2N2O5S/c1-20-7-5-11(14(21)16(20)23)15(22)19-6-2-8-26(24,25)10-3-4-12(17)13(18)9-10/h3-5,7,9,21H,2,6,8H2,1H3,(H,19,22)
InChIKeyHVZHAMGZTKAVHG-UHFFFAOYSA-N
XLogP1.99
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 71548156) is N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCCS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(O)c1=O.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is HVZHAMGZTKAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5S/c1-20-7-5-11(14(21)16(20)23)15(22)19-6-2-8-26(24,25)10-3-4-12(17)13(18)9-10/h3-5,7,9,21H,2,6,8H2,1H3,(H,19,22).
What are the key properties of N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 419.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)sulfonylpropyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).