1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide

C17H17F3N4O4S — CID 53154873

IUPAC1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n(C)c2C)o1
InChIInChI=1S/C17H17F3N4O4S/c1-9-14(16-22-21-11(3)27-16)15(10(2)24(9)4)29(25,26)23-12-5-7-13(8-6-12)28-17(18,19)20/h5-8,23H,1-4H3
InChIKeyCVIGJEFPLUDFOQ-UHFFFAOYSA-N
MW430.41 g/mol
LogP3.70
Rot. Bonds5

About 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide

1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide (PubChem CID 53154873) has the molecular formula C17H17F3N4O4S and a molecular weight of 430.41 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
PubChem CID53154873
Molecular FormulaC17H17F3N4O4S
Molecular Weight430.41 g/mol
Exact Mass430.09
IUPAC Name1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n(C)c2C)o1
InChIInChI=1S/C17H17F3N4O4S/c1-9-14(16-22-21-11(3)27-16)15(10(2)24(9)4)29(25,26)23-12-5-7-13(8-6-12)28-17(18,19)20/h5-8,23H,1-4H3
InChIKeyCVIGJEFPLUDFOQ-UHFFFAOYSA-N
XLogP3.70
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154813
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155132
1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53154887
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53068184
N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The IUPAC name of 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide (CID 53154873) is 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide.
What is the SMILES notation for 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The canonical SMILES for 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide is Cc1nnc(-c2c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c(C)n(C)c2C)o1.
What is the InChIKey of 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
The InChIKey is CVIGJEFPLUDFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4S/c1-9-14(16-22-21-11(3)27-16)15(10(2)24(9)4)29(25,26)23-12-5-7-13(8-6-12)28-17(18,19)20/h5-8,23H,1-4H3.
What are the key properties of 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide?
1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide has a molecular weight of 430.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53154873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).