6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C22H22ClN3O5S — CID 86725757

IUPAC6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCNC(=O)c1c(OCc2ccccc2)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C22H22ClN3O5S/c1-24-22(28)20-21(31-14-15-6-4-3-5-7-15)19(27)12-17(26(20)2)13-25-32(29,30)18-10-8-16(23)9-11-18/h3-12,25H,13-14H2,1-2H3,(H,24,28)
InChIKeyLQYHFAIZVUQEDO-UHFFFAOYSA-N
MW475.95 g/mol
LogP2.46
Rot. Bonds8

About 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide

6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 86725757) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID86725757
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC Name6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESCNC(=O)c1c(OCc2ccccc2)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C22H22ClN3O5S/c1-24-22(28)20-21(31-14-15-6-4-3-5-7-15)19(27)12-17(26(20)2)13-25-32(29,30)18-10-8-16(23)9-11-18/h3-12,25H,13-14H2,1-2H3,(H,24,28)
InChIKeyLQYHFAIZVUQEDO-UHFFFAOYSA-N
XLogP2.46
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide with MolForge

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Related Compounds

6-[[(4-chlorophenyl)sulfonylamino]methyl]-3-hydroxy-1-methyl-4-oxo-N-propan-2-ylpyridine-2-carboxamide
CID 86725772
1-methyl-6-[2-(3-methylphenyl)sulfonylethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
CID 147137112
methylamino 1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 87212427
N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
CID 118624559
N-cyclobutyl-1,6-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 66658948
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
1-methyl-6-[(4-methyl-N-sulfinoanilino)methyl]-4-oxo-3-phenylmethoxy-2-(propylcarbamoyl)pyridine
CID 90270934
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 86725757) is 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is CNC(=O)c1c(OCc2ccccc2)c(=O)cc(CNS(=O)(=O)c2ccc(Cl)cc2)n1C.
What is the InChIKey of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is LQYHFAIZVUQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-24-22(28)20-21(31-14-15-6-4-3-5-7-15)19(27)12-17(26(20)2)13-25-32(29,30)18-10-8-16(23)9-11-18/h3-12,25H,13-14H2,1-2H3,(H,24,28).
What are the key properties of 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chlorophenyl)sulfonylamino]methyl]-N,1-dimethyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 86725757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).