5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide

C19H14Cl2F3N3O4S — CID 150699502

IUPAC5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H14Cl2F3N3O4S/c1-9-17(10(2)31-26-9)32(29,30)27-15-6-4-12(20)8-13(15)18(28)25-16-5-3-11(7-14(16)21)19(22,23)24/h3-8,27H,1-2H3,(H,25,28)
InChIKeyJLOKPNYAXNSBAC-UHFFFAOYSA-N
MW508.31 g/mol
LogP5.67
Rot. Bonds5

About 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (PubChem CID 150699502) has the molecular formula C19H14Cl2F3N3O4S and a molecular weight of 508.31 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
PubChem CID150699502
Molecular FormulaC19H14Cl2F3N3O4S
Molecular Weight508.31 g/mol
Exact Mass507.00
IUPAC Name5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H14Cl2F3N3O4S/c1-9-17(10(2)31-26-9)32(29,30)27-15-6-4-12(20)8-13(15)18(28)25-16-5-3-11(7-14(16)21)19(22,23)24/h3-8,27H,1-2H3,(H,25,28)
InChIKeyJLOKPNYAXNSBAC-UHFFFAOYSA-N
XLogP5.67
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.31
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
CID 139521363
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 26942614
N-[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxane-4-carboxamide
CID 139512712
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
N-(2-chloro-4-cyanophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103791873
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283
1-(4-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91039946
N-[2-(4-chlorophenyl)-2-methylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113090418
3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 63117138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide (CID 150699502) is 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
The InChIKey is JLOKPNYAXNSBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O4S/c1-9-17(10(2)31-26-9)32(29,30)27-15-6-4-12(20)8-13(15)18(28)25-16-5-3-11(7-14(16)21)19(22,23)24/h3-8,27H,1-2H3,(H,25,28).
What are the key properties of 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide?
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide has a molecular weight of 508.31 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 150699502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).