ASBFEIQNDYSENZ-UHFFFAOYSA-N

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

C₂₅H₁₈F₅NO₂S — CID 141203970

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

IUPAC4-[3-(5-ethylsulfonyl-2,4-difluorophenyl)phenyl]-3-methyl-8-(trifluoromethyl)quinoline

SMILESCCS(=O)(=O)c1cc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c(F)cc1F

InChIInChI=1S/C25H18F5NO2S/c1-3-34(32,33)22-11-18(20(26)12-21(22)27)15-6-4-7-16(10-15)23-14(2)13-31-24-17(23)8-5-9-19(24)25(28,29)30/h4-13H,3H2,1-2H3

InChIKeyASBFEIQNDYSENZ-UHFFFAOYSA-N

MW491.48 g/mol

LogP6.97

Rot. Bonds4

About ASBFEIQNDYSENZ-UHFFFAOYSA-N

ASBFEIQNDYSENZ-UHFFFAOYSA-N (PubChem CID 141203970) has the molecular formula C₂₅H₁₈F₅NO₂S and a molecular weight of 491.48 g/mol. Its IUPAC name is 4-[3-(5-ethylsulfonyl-2,4-difluorophenyl)phenyl]-3-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name	ASBFEIQNDYSENZ-UHFFFAOYSA-N
PubChem CID	141203970
Molecular Formula	C₂₅H₁₈F₅NO₂S
Molecular Weight	491.48 g/mol
Exact Mass	491.10
IUPAC Name	4-[3-(5-ethylsulfonyl-2,4-difluorophenyl)phenyl]-3-methyl-8-(trifluoromethyl)quinoline
SMILES	CCS(=O)(=O)c1cc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c(F)cc1F
InChI	InChI=1S/C25H18F5NO2S/c1-3-34(32,33)22-11-18(20(26)12-21(22)27)15-6-4-7-16(10-15)23-14(2)13-31-24-17(23)8-5-9-19(24)25(28,29)30/h4-13H,3H2,1-2H3
InChIKey	ASBFEIQNDYSENZ-UHFFFAOYSA-N
XLogP	6.97
TPSA	47.03 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.48
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of ASBFEIQNDYSENZ-UHFFFAOYSA-N (CID 141203970) is 4-[3-(5-ethylsulfonyl-2,4-difluorophenyl)phenyl]-3-methyl-8-(trifluoromethyl)quinoline.

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

The canonical SMILES for ASBFEIQNDYSENZ-UHFFFAOYSA-N is CCS(=O)(=O)c1cc(-c2cccc(-c3c(C)cnc4c(C(F)(F)F)cccc34)c2)c(F)cc1F.

What is the InChIKey of ASBFEIQNDYSENZ-UHFFFAOYSA-N?

The InChIKey is ASBFEIQNDYSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5NO2S/c1-3-34(32,33)22-11-18(20(26)12-21(22)27)15-6-4-7-16(10-15)23-14(2)13-31-24-17(23)8-5-9-19(24)25(28,29)30/h4-13H,3H2,1-2H3.

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

ASBFEIQNDYSENZ-UHFFFAOYSA-N has a molecular weight of 491.48 g/mol, XLogP of 6.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ASBFEIQNDYSENZ-UHFFFAOYSA-N is sourced from PubChem (CID 141203970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 141203970 — identifiers, structure, computed properties (public domain)

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