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

C18H14F3N3O4S — CID 169307992

IUPACN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccno2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O4S/c1-11-9-13(23-17(25)15-7-8-22-28-15)5-6-16(11)29(26,27)24-14-4-2-3-12(10-14)18(19,20)21/h2-10,24H,1H3,(H,23,25)
InChIKeyUAIJBHRNPTYWMQ-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.05
Rot. Bonds5

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

N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 169307992) has the molecular formula C18H14F3N3O4S and a molecular weight of 425.39 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID169307992
Molecular FormulaC18H14F3N3O4S
Molecular Weight425.39 g/mol
Exact Mass425.07
IUPAC NameN-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccno2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F3N3O4S/c1-11-9-13(23-17(25)15-7-8-22-28-15)5-6-16(11)29(26,27)24-14-4-2-3-12(10-14)18(19,20)21/h2-10,24H,1H3,(H,23,25)
InChIKeyUAIJBHRNPTYWMQ-UHFFFAOYSA-N
XLogP4.05
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 169307937
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
CID 170343075
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 16745785
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide (CID 169307992) is N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2ccno2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UAIJBHRNPTYWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S/c1-11-9-13(23-17(25)15-7-8-22-28-15)5-6-16(11)29(26,27)24-14-4-2-3-12(10-14)18(19,20)21/h2-10,24H,1H3,(H,23,25).
What are the key properties of N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide?
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 169307992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).