YFYHSPKUSJWJNY-UHFFFAOYSA-N

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

C₂₉H₂₈ClF₃N₂O₃S — CID 130432742

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

IUPAC2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide

SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3C(C)C)cc1

InChIInChI=1S/C29H28ClF3N2O3S/c1-4-39(37,38)25-10-5-19(6-11-25)17-34-28(36)21-8-12-27-22(13-21)15-24(35(27)18(2)3)14-20-7-9-23(30)16-26(20)29(31,32)33/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,34,36)

InChIKeyYFYHSPKUSJWJNY-UHFFFAOYSA-N

MW577.07 g/mol

LogP7.21

Rot. Bonds8

About YFYHSPKUSJWJNY-UHFFFAOYSA-N

YFYHSPKUSJWJNY-UHFFFAOYSA-N (PubChem CID 130432742) has the molecular formula C₂₉H₂₈ClF₃N₂O₃S and a molecular weight of 577.07 g/mol. Its IUPAC name is 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide.

Molecular Properties

Compound Name	YFYHSPKUSJWJNY-UHFFFAOYSA-N
PubChem CID	130432742
Molecular Formula	C₂₉H₂₈ClF₃N₂O₃S
Molecular Weight	577.07 g/mol
Exact Mass	576.15
IUPAC Name	2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide
SMILES	CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3C(C)C)cc1
InChI	InChI=1S/C29H28ClF3N2O3S/c1-4-39(37,38)25-10-5-19(6-11-25)17-34-28(36)21-8-12-27-22(13-21)15-24(35(27)18(2)3)14-20-7-9-23(30)16-26(20)29(31,32)33/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,34,36)
InChIKey	YFYHSPKUSJWJNY-UHFFFAOYSA-N
XLogP	7.21
TPSA	68.17 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.07
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of YFYHSPKUSJWJNY-UHFFFAOYSA-N (CID 130432742) is 2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-N-[(4-ethylsulfonylphenyl)methyl]-1-propan-2-ylindole-5-carboxamide.

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

The canonical SMILES for YFYHSPKUSJWJNY-UHFFFAOYSA-N is CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)cc(Cc2ccc(Cl)cc2C(F)(F)F)n3C(C)C)cc1.

What is the InChIKey of YFYHSPKUSJWJNY-UHFFFAOYSA-N?

The InChIKey is YFYHSPKUSJWJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N2O3S/c1-4-39(37,38)25-10-5-19(6-11-25)17-34-28(36)21-8-12-27-22(13-21)15-24(35(27)18(2)3)14-20-7-9-23(30)16-26(20)29(31,32)33/h5-13,15-16,18H,4,14,17H2,1-3H3,(H,34,36).

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

YFYHSPKUSJWJNY-UHFFFAOYSA-N has a molecular weight of 577.07 g/mol, XLogP of 7.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YFYHSPKUSJWJNY-UHFFFAOYSA-N is sourced from PubChem (CID 130432742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130432742 — identifiers, structure, computed properties (public domain)

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