XZMZQDSXMWEWRG-UHFFFAOYSA-N

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

C₂₅H₃₁F₃N₄O₃S — CID 58561166

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

IUPAC4-[3-[(dimethylamino)methyl]-4-(trifluoromethoxy)phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide

SMILESCc1c(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(CN(C)C)c3)cc2)c(CC(C)C)nn1C

InChIInChI=1S/C25H31F3N4O3S/c1-16(2)13-22-24(17(3)32(6)29-22)30-36(33,34)21-10-7-18(8-11-21)19-9-12-23(35-25(26,27)28)20(14-19)15-31(4)5/h7-12,14,16,30H,13,15H2,1-6H3

InChIKeyQWIODJSFIGQCMC-UHFFFAOYSA-N

MW524.61 g/mol

LogP5.36

Rot. Bonds9

About XZMZQDSXMWEWRG-UHFFFAOYSA-N

XZMZQDSXMWEWRG-UHFFFAOYSA-N (PubChem CID 58561166) has the molecular formula C₂₅H₃₁F₃N₄O₃S and a molecular weight of 524.61 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-4-(trifluoromethoxy)phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name	XZMZQDSXMWEWRG-UHFFFAOYSA-N
PubChem CID	58561166
Molecular Formula	C₂₅H₃₁F₃N₄O₃S
Molecular Weight	524.61 g/mol
Exact Mass	524.21
IUPAC Name	4-[3-[(dimethylamino)methyl]-4-(trifluoromethoxy)phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
SMILES	Cc1c(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(CN(C)C)c3)cc2)c(CC(C)C)nn1C
InChI	InChI=1S/C25H31F3N4O3S/c1-16(2)13-22-24(17(3)32(6)29-22)30-36(33,34)21-10-7-18(8-11-21)19-9-12-23(35-25(26,27)28)20(14-19)15-31(4)5/h7-12,14,16,30H,13,15H2,1-6H3
InChIKey	QWIODJSFIGQCMC-UHFFFAOYSA-N
XLogP	5.36
TPSA	76.46 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of XZMZQDSXMWEWRG-UHFFFAOYSA-N (CID 58561166) is 4-[3-[(dimethylamino)methyl]-4-(trifluoromethoxy)phenyl]-N-[1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide.

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

The canonical SMILES for XZMZQDSXMWEWRG-UHFFFAOYSA-N is Cc1c(NS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)c(CN(C)C)c3)cc2)c(CC(C)C)nn1C.

What is the InChIKey of XZMZQDSXMWEWRG-UHFFFAOYSA-N?

The InChIKey is QWIODJSFIGQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O3S/c1-16(2)13-22-24(17(3)32(6)29-22)30-36(33,34)21-10-7-18(8-11-21)19-9-12-23(35-25(26,27)28)20(14-19)15-31(4)5/h7-12,14,16,30H,13,15H2,1-6H3.

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

XZMZQDSXMWEWRG-UHFFFAOYSA-N has a molecular weight of 524.61 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for XZMZQDSXMWEWRG-UHFFFAOYSA-N is sourced from PubChem (CID 58561166), 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 58561166 — identifiers, structure, computed properties (public domain)

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