TVZRIJSXZCQZFN-SJORKVTESA-N

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

C₂₂H₁₈F₆N₄O₃S — CID 134203651

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

IUPACcis-(1S,2S)-N-[[3-(difluoromethyl)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonylcyclobutane-1-carboxamide

SMILESO=C(NCc1cn(-c2ccc(C(F)(F)F)nc2)nc1C(F)F)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1

InChIInChI=1S/C22H18F6N4O3S/c23-13-1-4-15(5-2-13)36(34,35)17-7-6-16(17)21(33)30-9-12-11-32(31-19(12)20(24)25)14-3-8-18(29-10-14)22(26,27)28/h1-5,8,10-11,16-17,20H,6-7,9H2,(H,30,33)/t16-,17+/m1/s1

InChIKeyTVZRIJSXZCQZFN-SJORKVTESA-N

MW532.47 g/mol

LogP4.23

Rot. Bonds7

About TVZRIJSXZCQZFN-SJORKVTESA-N

TVZRIJSXZCQZFN-SJORKVTESA-N (PubChem CID 134203651) has the molecular formula C₂₂H₁₈F₆N₄O₃S and a molecular weight of 532.47 g/mol. Its IUPAC name is cis-(1S,2S)-N-[[3-(difluoromethyl)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name	TVZRIJSXZCQZFN-SJORKVTESA-N
PubChem CID	134203651
Molecular Formula	C₂₂H₁₈F₆N₄O₃S
Molecular Weight	532.47 g/mol
Exact Mass	532.10
IUPAC Name	cis-(1S,2S)-N-[[3-(difluoromethyl)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonylcyclobutane-1-carboxamide
SMILES	O=C(NCc1cn(-c2ccc(C(F)(F)F)nc2)nc1C(F)F)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1
InChI	InChI=1S/C22H18F6N4O3S/c23-13-1-4-15(5-2-13)36(34,35)17-7-6-16(17)21(33)30-9-12-11-32(31-19(12)20(24)25)14-3-8-18(29-10-14)22(26,27)28/h1-5,8,10-11,16-17,20H,6-7,9H2,(H,30,33)/t16-,17+/m1/s1
InChIKey	TVZRIJSXZCQZFN-SJORKVTESA-N
XLogP	4.23
TPSA	93.95 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.47
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of TVZRIJSXZCQZFN-SJORKVTESA-N?

The IUPAC name of TVZRIJSXZCQZFN-SJORKVTESA-N (CID 134203651) is cis-(1S,2S)-N-[[3-(difluoromethyl)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]-2-(4-fluorophenyl)sulfonylcyclobutane-1-carboxamide.

What is the SMILES notation for TVZRIJSXZCQZFN-SJORKVTESA-N?

The canonical SMILES for TVZRIJSXZCQZFN-SJORKVTESA-N is O=C(NCc1cn(-c2ccc(C(F)(F)F)nc2)nc1C(F)F)[C@@H]1CC[C@@H]1S(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of TVZRIJSXZCQZFN-SJORKVTESA-N?

The InChIKey is TVZRIJSXZCQZFN-SJORKVTESA-N. The full InChI is InChI=1S/C22H18F6N4O3S/c23-13-1-4-15(5-2-13)36(34,35)17-7-6-16(17)21(33)30-9-12-11-32(31-19(12)20(24)25)14-3-8-18(29-10-14)22(26,27)28/h1-5,8,10-11,16-17,20H,6-7,9H2,(H,30,33)/t16-,17+/m1/s1.

What are the key properties of TVZRIJSXZCQZFN-SJORKVTESA-N?

TVZRIJSXZCQZFN-SJORKVTESA-N has a molecular weight of 532.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for TVZRIJSXZCQZFN-SJORKVTESA-N is sourced from PubChem (CID 134203651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134203651 — identifiers, structure, computed properties (public domain)

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