SFMUBEVWHUTRBV-UHFFFAOYSA-N

Name: SFMUBEVWHUTRBV-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₃F₃N₄O₃S — CID 139369791

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[(4-cyanophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

SMILESCS(=O)(Cc1ccc(C#N)cc1)=NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1

InChIInChI=1S/C19H13F3N4O3S/c1-30(28,11-13-4-2-12(10-23)3-5-13)26-17(27)15-8-6-14(7-9-15)16-24-18(29-25-16)19(20,21)22/h2-9H,11H2,1H3

InChIKeySFMUBEVWHUTRBV-UHFFFAOYSA-N

MW434.40 g/mol

LogP4.07

Rot. Bonds4

About SFMUBEVWHUTRBV-UHFFFAOYSA-N

SFMUBEVWHUTRBV-UHFFFAOYSA-N (PubChem CID 139369791) has the molecular formula C₁₉H₁₃F₃N₄O₃S and a molecular weight of 434.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name	SFMUBEVWHUTRBV-UHFFFAOYSA-N
PubChem CID	139369791
Molecular Formula	C₁₉H₁₃F₃N₄O₃S
Molecular Weight	434.40 g/mol
Exact Mass	434.07
IUPAC Name	N-[(4-cyanophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILES	CS(=O)(Cc1ccc(C#N)cc1)=NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChI	InChI=1S/C19H13F3N4O3S/c1-30(28,11-13-4-2-12(10-23)3-5-13)26-17(27)15-8-6-14(7-9-15)16-24-18(29-25-16)19(20,21)22/h2-9H,11H2,1H3
InChIKey	SFMUBEVWHUTRBV-UHFFFAOYSA-N
XLogP	4.07
TPSA	109.21 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.40
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of SFMUBEVWHUTRBV-UHFFFAOYSA-N?

The IUPAC name of SFMUBEVWHUTRBV-UHFFFAOYSA-N (CID 139369791) is N-[(4-cyanophenyl)methyl-methyl-oxo-λ6-sulfanylidene]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

What is the SMILES notation for SFMUBEVWHUTRBV-UHFFFAOYSA-N?

The canonical SMILES for SFMUBEVWHUTRBV-UHFFFAOYSA-N is CS(=O)(Cc1ccc(C#N)cc1)=NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.

What is the InChIKey of SFMUBEVWHUTRBV-UHFFFAOYSA-N?

The InChIKey is SFMUBEVWHUTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S/c1-30(28,11-13-4-2-12(10-23)3-5-13)26-17(27)15-8-6-14(7-9-15)16-24-18(29-25-16)19(20,21)22/h2-9H,11H2,1H3.

What are the key properties of SFMUBEVWHUTRBV-UHFFFAOYSA-N?

SFMUBEVWHUTRBV-UHFFFAOYSA-N has a molecular weight of 434.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for SFMUBEVWHUTRBV-UHFFFAOYSA-N is sourced from PubChem (CID 139369791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139369791 — identifiers, structure, computed properties (public domain)

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