N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C22H14ClN3O5S — CID 10695579

IUPACN-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(c1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)co2)cc1)c1cccnc1
InChIInChI=1S/C22H14ClN3O5S/c23-17-7-9-18(10-8-17)32(29,30)26-21(28)19-13-31-22(25-19)15-5-3-14(4-6-15)20(27)16-2-1-11-24-12-16/h1-13H,(H,26,28)
InChIKeyDVMVRMXRELGZHK-UHFFFAOYSA-N
MW467.89 g/mol
LogP3.74
Rot. Bonds6

About N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 10695579) has the molecular formula C22H14ClN3O5S and a molecular weight of 467.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID10695579
Molecular FormulaC22H14ClN3O5S
Molecular Weight467.89 g/mol
Exact Mass467.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(c1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)co2)cc1)c1cccnc1
InChIInChI=1S/C22H14ClN3O5S/c23-17-7-9-18(10-8-17)32(29,30)26-21(28)19-13-31-22(25-19)15-5-3-14(4-6-15)20(27)16-2-1-11-24-12-16/h1-13H,(H,26,28)
InChIKeyDVMVRMXRELGZHK-UHFFFAOYSA-N
XLogP3.74
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
4-chloro-N-[5-(pyridine-3-carbonyl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 10364382
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 17052798
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
(4-chlorophenyl)-[4-(pyridine-3-carbonyl)-1,2-oxazol-3-yl]methanone
CID 56692836
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 155961799

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 10695579) is N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(c1ccc(-c2nc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)co2)cc1)c1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DVMVRMXRELGZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O5S/c23-17-7-9-18(10-8-17)32(29,30)26-21(28)19-13-31-22(25-19)15-5-3-14(4-6-15)20(27)16-2-1-11-24-12-16/h1-13H,(H,26,28).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 467.89 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-[4-(pyridine-3-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10695579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).