N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C13H12F3N3O4S — CID 1107616

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C
InChIInChI=1S/C13H12F3N3O4S/c1-7-8(2)18-23-11(7)19-24(21,22)10-5-3-9(4-6-10)17-12(20)13(14,15)16/h3-6,19H,1-2H3,(H,17,20)
InChIKeyKJEYNWQWLMDFIW-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.59
Rot. Bonds4

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 1107616) has the molecular formula C13H12F3N3O4S and a molecular weight of 363.32 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID1107616
Molecular FormulaC13H12F3N3O4S
Molecular Weight363.32 g/mol
Exact Mass363.05
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C
InChIInChI=1S/C13H12F3N3O4S/c1-7-8(2)18-23-11(7)19-24(21,22)10-5-3-9(4-6-10)17-12(20)13(14,15)16/h3-6,19H,1-2H3,(H,17,20)
InChIKeyKJEYNWQWLMDFIW-UHFFFAOYSA-N
XLogP2.59
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfisoxazole
CID 5344
Sulfisoxazole Acetyl
CID 6662
Sulfisoxazole Diolamine
CID 20287
N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-isobutyramide
CID 678193
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2344397
3-Methyl-5-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 3774532
N-(3,4-Dimethyl-isoxazol-5-yl)-4-fluoro-benzenesulfonamide
CID 10265127
N-(3,4-Dimethyl-isoxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 10516176
N-(3,4-Dimethyl-isoxazol-5-yl)-2-trifluoromethyl-benzenesulfonamide
CID 10734431
Ethyl 4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenylcarbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylbenzamide
CID 1182484

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 1107616) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is KJEYNWQWLMDFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O4S/c1-7-8(2)18-23-11(7)19-24(21,22)10-5-3-9(4-6-10)17-12(20)13(14,15)16/h3-6,19H,1-2H3,(H,17,20).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 363.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1107616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).