N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

C15H11F3N2O3S2 — CID 45106740

IUPACN-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)c1
InChIInChI=1S/C15H11F3N2O3S2/c1-9-3-2-4-10(7-9)20-25(21,22)14-6-5-12(24-14)11-8-13(19-23-11)15(16,17)18/h2-8,20H,1H3
InChIKeyWKSUELYHTFIVRV-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.53
Rot. Bonds4

About N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106740) has the molecular formula C15H11F3N2O3S2 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106740
Molecular FormulaC15H11F3N2O3S2
Molecular Weight388.39 g/mol
Exact Mass388.02
IUPAC NameN-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)c1
InChIInChI=1S/C15H11F3N2O3S2/c1-9-3-2-4-10(7-9)20-25(21,22)14-6-5-12(24-14)11-8-13(19-23-11)15(16,17)18/h2-8,20H,1H3
InChIKeyWKSUELYHTFIVRV-UHFFFAOYSA-N
XLogP4.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024977
N-(5-chloro-2-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024979
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
N-[(2-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025226
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311
3,5-dimethyl-N-[(5-phenylthiophen-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 76317025
2-{[5-(3-Methylisoxazol-5-yl)thien-2-yl]sulfonyl}-1,2,3,4-tetrahydroisoquinoline
CID 20936215

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106740) is N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is WKSUELYHTFIVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S2/c1-9-3-2-4-10(7-9)20-25(21,22)14-6-5-12(24-14)11-8-13(19-23-11)15(16,17)18/h2-8,20H,1H3.
What are the key properties of N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 388.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).