N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C18H12Cl2F3N3O4S — CID 55864253

IUPACN-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-5-15(13(7-11)18(21,22)23)26-31(28,29)16-6-10(19)2-4-14(16)20/h2-8,26H,1H3,(H,25,27)
InChIKeyKORIHVPYAXXAPO-UHFFFAOYSA-N
MW494.28 g/mol
LogP5.36
Rot. Bonds5

About N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55864253) has the molecular formula C18H12Cl2F3N3O4S and a molecular weight of 494.28 g/mol. Its IUPAC name is N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55864253
Molecular FormulaC18H12Cl2F3N3O4S
Molecular Weight494.28 g/mol
Exact Mass492.99
IUPAC NameN-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-5-15(13(7-11)18(21,22)23)26-31(28,29)16-6-10(19)2-4-14(16)20/h2-8,26H,1H3,(H,25,27)
InChIKeyKORIHVPYAXXAPO-UHFFFAOYSA-N
XLogP5.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.28
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60588960
N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864379
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 152659989
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 55864253) is N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KORIHVPYAXXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-5-15(13(7-11)18(21,22)23)26-31(28,29)16-6-10(19)2-4-14(16)20/h2-8,26H,1H3,(H,25,27).
What are the key properties of N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 494.28 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55864253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).