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

C17H17Cl2N3O5S — CID 90343731

IUPACN-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(O)c1=O
InChIInChI=1S/C17H17Cl2N3O5S/c1-21-5-4-12(15(23)17(21)25)16(24)20-7-10-8-22(9-10)28(26,27)11-2-3-13(18)14(19)6-11/h2-6,10,23H,7-9H2,1H3,(H,20,24)
InChIKeyLDEBGGYKBMAVAP-UHFFFAOYSA-N
MW446.31 g/mol
LogP1.45
Rot. Bonds5

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

N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 90343731) has the molecular formula C17H17Cl2N3O5S and a molecular weight of 446.31 g/mol. Its IUPAC name is N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID90343731
Molecular FormulaC17H17Cl2N3O5S
Molecular Weight446.31 g/mol
Exact Mass445.03
IUPAC NameN-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(O)c1=O
InChIInChI=1S/C17H17Cl2N3O5S/c1-21-5-4-12(15(23)17(21)25)16(24)20-7-10-8-22(9-10)28(26,27)11-2-3-13(18)14(19)6-11/h2-6,10,23H,7-9H2,1H3,(H,20,24)
InChIKeyLDEBGGYKBMAVAP-UHFFFAOYSA-N
XLogP1.45
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 90343731) is N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCC2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C2)c(O)c1=O.
What is the InChIKey of N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is LDEBGGYKBMAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O5S/c1-21-5-4-12(15(23)17(21)25)16(24)20-7-10-8-22(9-10)28(26,27)11-2-3-13(18)14(19)6-11/h2-6,10,23H,7-9H2,1H3,(H,20,24).
What are the key properties of N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 446.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dichlorophenyl)sulfonylazetidin-3-yl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 90343731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).