YHMWEGGOPAPTEL-UHFFFAOYSA-N

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

C₂₂H₁₅ClF₇N₃O₃S — CID 54508601

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

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide

SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(S(C)(=O)=O)nc1-c1ccc(F)cc1Cl

InChIInChI=1S/C22H15ClF7N3O3S/c1-33(10-11-5-12(21(25,26)27)7-13(6-11)22(28,29)30)19(34)16-9-31-20(37(2,35)36)32-18(16)15-4-3-14(24)8-17(15)23/h3-9H,10H2,1-2H3

InChIKeyYHMWEGGOPAPTEL-UHFFFAOYSA-N

MW569.89 g/mol

LogP5.65

Rot. Bonds5

About YHMWEGGOPAPTEL-UHFFFAOYSA-N

YHMWEGGOPAPTEL-UHFFFAOYSA-N (PubChem CID 54508601) has the molecular formula C₂₂H₁₅ClF₇N₃O₃S and a molecular weight of 569.89 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name	YHMWEGGOPAPTEL-UHFFFAOYSA-N
PubChem CID	54508601
Molecular Formula	C₂₂H₁₅ClF₇N₃O₃S
Molecular Weight	569.89 g/mol
Exact Mass	569.04
IUPAC Name	N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide
SMILES	CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(S(C)(=O)=O)nc1-c1ccc(F)cc1Cl
InChI	InChI=1S/C22H15ClF7N3O3S/c1-33(10-11-5-12(21(25,26)27)7-13(6-11)22(28,29)30)19(34)16-9-31-20(37(2,35)36)32-18(16)15-4-3-14(24)8-17(15)23/h3-9H,10H2,1-2H3
InChIKey	YHMWEGGOPAPTEL-UHFFFAOYSA-N
XLogP	5.65
TPSA	80.23 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.89
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of YHMWEGGOPAPTEL-UHFFFAOYSA-N (CID 54508601) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide.

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

The canonical SMILES for YHMWEGGOPAPTEL-UHFFFAOYSA-N is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc(S(C)(=O)=O)nc1-c1ccc(F)cc1Cl.

What is the InChIKey of YHMWEGGOPAPTEL-UHFFFAOYSA-N?

The InChIKey is YHMWEGGOPAPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF7N3O3S/c1-33(10-11-5-12(21(25,26)27)7-13(6-11)22(28,29)30)19(34)16-9-31-20(37(2,35)36)32-18(16)15-4-3-14(24)8-17(15)23/h3-9H,10H2,1-2H3.

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

YHMWEGGOPAPTEL-UHFFFAOYSA-N has a molecular weight of 569.89 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for YHMWEGGOPAPTEL-UHFFFAOYSA-N is sourced from PubChem (CID 54508601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 54508601 — identifiers, structure, computed properties (public domain)

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