3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide

C18H15F3N4O4S — CID 20931957

IUPAC3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCn3c(C(F)(F)F)nc4ccccc43)ccc21
InChIInChI=1S/C18H15F3N4O4S/c1-24-14-7-6-11(10-15(14)29-17(24)26)30(27,28)22-8-9-25-13-5-3-2-4-12(13)23-16(25)18(19,20)21/h2-7,10,22H,8-9H2,1H3
InChIKeyFALKMUXZIWIRKV-UHFFFAOYSA-N
MW440.40 g/mol
LogP2.48
Rot. Bonds5

About 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 20931957) has the molecular formula C18H15F3N4O4S and a molecular weight of 440.40 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide
PubChem CID20931957
Molecular FormulaC18H15F3N4O4S
Molecular Weight440.40 g/mol
Exact Mass440.08
IUPAC Name3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCCn3c(C(F)(F)F)nc4ccccc43)ccc21
InChIInChI=1S/C18H15F3N4O4S/c1-24-14-7-6-11(10-15(14)29-17(24)26)30(27,28)22-8-9-25-13-5-3-2-4-12(13)23-16(25)18(19,20)21/h2-7,10,22H,8-9H2,1H3
InChIKeyFALKMUXZIWIRKV-UHFFFAOYSA-N
XLogP2.48
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide (CID 20931957) is 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NCCn3c(C(F)(F)F)nc4ccccc43)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FALKMUXZIWIRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S/c1-24-14-7-6-11(10-15(14)29-17(24)26)30(27,28)22-8-9-25-13-5-3-2-4-12(13)23-16(25)18(19,20)21/h2-7,10,22H,8-9H2,1H3.
What are the key properties of 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 440.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 20931957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).