ODGJROVGEWFAHJ-HXUWFJFHSA-N

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

C₂₃H₁₉F₃N₄O₄S₂ — CID 118418380

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

IUPAC(4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

SMILESCn1nccc1-c1cc(C(F)(F)F)ccc1O[C@@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21

InChIInChI=1S/C23H19F3N4O4S2/c1-30-18(6-8-28-30)17-12-14(23(24,25)26)2-5-19(17)34-20-7-10-33-21-13-15(3-4-16(20)21)36(31,32)29-22-27-9-11-35-22/h2-6,8-9,11-13,20H,7,10H2,1H3,(H,27,29)/t20-/m1/s1

InChIKeyODGJROVGEWFAHJ-HXUWFJFHSA-N

MW536.56 g/mol

LogP5.27

Rot. Bonds6

About ODGJROVGEWFAHJ-HXUWFJFHSA-N

ODGJROVGEWFAHJ-HXUWFJFHSA-N (PubChem CID 118418380) has the molecular formula C₂₃H₁₉F₃N₄O₄S₂ and a molecular weight of 536.56 g/mol. Its IUPAC name is (4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound Name	ODGJROVGEWFAHJ-HXUWFJFHSA-N
PubChem CID	118418380
Molecular Formula	C₂₃H₁₉F₃N₄O₄S₂
Molecular Weight	536.56 g/mol
Exact Mass	536.08
IUPAC Name	(4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
SMILES	Cn1nccc1-c1cc(C(F)(F)F)ccc1O[C@@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChI	InChI=1S/C23H19F3N4O4S2/c1-30-18(6-8-28-30)17-12-14(23(24,25)26)2-5-19(17)34-20-7-10-33-21-13-15(3-4-16(20)21)36(31,32)29-22-27-9-11-35-22/h2-6,8-9,11-13,20H,7,10H2,1H3,(H,27,29)/t20-/m1/s1
InChIKey	ODGJROVGEWFAHJ-HXUWFJFHSA-N
XLogP	5.27
TPSA	95.34 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ODGJROVGEWFAHJ-HXUWFJFHSA-N?

The IUPAC name of ODGJROVGEWFAHJ-HXUWFJFHSA-N (CID 118418380) is (4R)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenoxy]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide.

What is the SMILES notation for ODGJROVGEWFAHJ-HXUWFJFHSA-N?

The canonical SMILES for ODGJROVGEWFAHJ-HXUWFJFHSA-N is Cn1nccc1-c1cc(C(F)(F)F)ccc1O[C@@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21.

What is the InChIKey of ODGJROVGEWFAHJ-HXUWFJFHSA-N?

The InChIKey is ODGJROVGEWFAHJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19F3N4O4S2/c1-30-18(6-8-28-30)17-12-14(23(24,25)26)2-5-19(17)34-20-7-10-33-21-13-15(3-4-16(20)21)36(31,32)29-22-27-9-11-35-22/h2-6,8-9,11-13,20H,7,10H2,1H3,(H,27,29)/t20-/m1/s1.

What are the key properties of ODGJROVGEWFAHJ-HXUWFJFHSA-N?

ODGJROVGEWFAHJ-HXUWFJFHSA-N has a molecular weight of 536.56 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ODGJROVGEWFAHJ-HXUWFJFHSA-N is sourced from PubChem (CID 118418380), 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 118418380 — identifiers, structure, computed properties (public domain)

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