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

C21H22ClN5O4S — CID 24548447

IUPAC1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O4S/c1-15-24-20(25-27(15)18-6-4-17(22)5-7-18)21(28)23-14-16-2-8-19(9-3-16)32(29,30)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyKGMRNANTCWGHLT-UHFFFAOYSA-N
MW475.96 g/mol
LogP2.18
Rot. Bonds6

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

1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 24548447) has the molecular formula C21H22ClN5O4S and a molecular weight of 475.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID24548447
Molecular FormulaC21H22ClN5O4S
Molecular Weight475.96 g/mol
Exact Mass475.11
IUPAC Name1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O4S/c1-15-24-20(25-27(15)18-6-4-17(22)5-7-18)21(28)23-14-16-2-8-19(9-3-16)32(29,30)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyKGMRNANTCWGHLT-UHFFFAOYSA-N
XLogP2.18
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)-5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78902164
1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 26470174
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55381019
5-chloro-2-methylsulfanyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidine-4-carboxamide
CID 30767130
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-chloro-N-[(2S)-3-methyl-1-[(4-morpholin-4-ylsulfonylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 31336859
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
1-(4-chlorophenyl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 78879226

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide (CID 24548447) is 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KGMRNANTCWGHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O4S/c1-15-24-20(25-27(15)18-6-4-17(22)5-7-18)21(28)23-14-16-2-8-19(9-3-16)32(29,30)26-10-12-31-13-11-26/h2-9H,10-14H2,1H3,(H,23,28).
What are the key properties of 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide?
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 475.96 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 24548447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).