1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

C21H22ClN5O5S — CID 26470174

IUPAC1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN5O5S/c1-14-23-20(25-27(14)16-5-3-15(22)4-6-16)21(28)24-18-13-17(7-8-19(18)31-2)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,28)
InChIKeyCSIYPYQGRBSEON-UHFFFAOYSA-N
MW491.96 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide

1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 26470174) has the molecular formula C21H22ClN5O5S and a molecular weight of 491.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID26470174
Molecular FormulaC21H22ClN5O5S
Molecular Weight491.96 g/mol
Exact Mass491.10
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN5O5S/c1-14-23-20(25-27(14)16-5-3-15(22)4-6-16)21(28)24-18-13-17(7-8-19(18)31-2)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,28)
InChIKeyCSIYPYQGRBSEON-UHFFFAOYSA-N
XLogP2.51
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
1-(4-chlorophenyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78887347
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
ethyl 6-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55600393
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3435675
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide (CID 26470174) is 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is CSIYPYQGRBSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O5S/c1-14-23-20(25-27(14)16-5-3-15(22)4-6-16)21(28)24-18-13-17(7-8-19(18)31-2)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 491.96 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 26470174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).