3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide

C17H16Cl3N3O4S — CID 16545868

IUPAC3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c1-10-2-3-11(28(25,26)23-4-6-27-7-5-23)8-13(10)22-17(24)16-15(20)14(19)12(18)9-21-16/h2-3,8-9H,4-7H2,1H3,(H,22,24)
InChIKeyQYDBKGGYEOQVOF-UHFFFAOYSA-N
MW464.76 g/mol
LogP3.62
Rot. Bonds4

About 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide

3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 16545868) has the molecular formula C17H16Cl3N3O4S and a molecular weight of 464.76 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID16545868
Molecular FormulaC17H16Cl3N3O4S
Molecular Weight464.76 g/mol
Exact Mass462.99
IUPAC Name3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H16Cl3N3O4S/c1-10-2-3-11(28(25,26)23-4-6-27-7-5-23)8-13(10)22-17(24)16-15(20)14(19)12(18)9-21-16/h2-3,8-9H,4-7H2,1H3,(H,22,24)
InChIKeyQYDBKGGYEOQVOF-UHFFFAOYSA-N
XLogP3.62
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 55602264
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide (CID 16545868) is 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is QYDBKGGYEOQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O4S/c1-10-2-3-11(28(25,26)23-4-6-27-7-5-23)8-13(10)22-17(24)16-15(20)14(19)12(18)9-21-16/h2-3,8-9H,4-7H2,1H3,(H,22,24).
What are the key properties of 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide?
3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 464.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 16545868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).