NIUCGTZZSFIGTI-DNQXCXABSA-N

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

C₂₆H₃₀F₅N₃O₃S — CID 154260878

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

IUPAC(3R)-3-[(3,5-difluorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

SMILESO=C(C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(F)(F)F)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21

InChIInChI=1S/C26H30F5N3O3S/c27-19-12-20(28)14-21(13-19)38(36,37)33-24(26(29,30)31)15-25(35)32-23-6-4-5-18-11-17(7-8-22(18)23)16-34-9-2-1-3-10-34/h7-8,11-14,23-24,33H,1-6,9-10,15-16H2,(H,32,35)/t23-,24-/m1/s1

InChIKeyNIUCGTZZSFIGTI-DNQXCXABSA-N

MW559.60 g/mol

LogP4.74

Rot. Bonds8

About NIUCGTZZSFIGTI-DNQXCXABSA-N

NIUCGTZZSFIGTI-DNQXCXABSA-N (PubChem CID 154260878) has the molecular formula C₂₆H₃₀F₅N₃O₃S and a molecular weight of 559.60 g/mol. Its IUPAC name is (3R)-3-[(3,5-difluorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name	NIUCGTZZSFIGTI-DNQXCXABSA-N
PubChem CID	154260878
Molecular Formula	C₂₆H₃₀F₅N₃O₃S
Molecular Weight	559.60 g/mol
Exact Mass	559.19
IUPAC Name	(3R)-3-[(3,5-difluorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILES	O=C(C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(F)(F)F)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21
InChI	InChI=1S/C26H30F5N3O3S/c27-19-12-20(28)14-21(13-19)38(36,37)33-24(26(29,30)31)15-25(35)32-23-6-4-5-18-11-17(7-8-22(18)23)16-34-9-2-1-3-10-34/h7-8,11-14,23-24,33H,1-6,9-10,15-16H2,(H,32,35)/t23-,24-/m1/s1
InChIKey	NIUCGTZZSFIGTI-DNQXCXABSA-N
XLogP	4.74
TPSA	78.51 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.60
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of NIUCGTZZSFIGTI-DNQXCXABSA-N?

The IUPAC name of NIUCGTZZSFIGTI-DNQXCXABSA-N (CID 154260878) is (3R)-3-[(3,5-difluorophenyl)sulfonylamino]-4,4,4-trifluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

What is the SMILES notation for NIUCGTZZSFIGTI-DNQXCXABSA-N?

The canonical SMILES for NIUCGTZZSFIGTI-DNQXCXABSA-N is O=C(C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(F)(F)F)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc21.

What is the InChIKey of NIUCGTZZSFIGTI-DNQXCXABSA-N?

The InChIKey is NIUCGTZZSFIGTI-DNQXCXABSA-N. The full InChI is InChI=1S/C26H30F5N3O3S/c27-19-12-20(28)14-21(13-19)38(36,37)33-24(26(29,30)31)15-25(35)32-23-6-4-5-18-11-17(7-8-22(18)23)16-34-9-2-1-3-10-34/h7-8,11-14,23-24,33H,1-6,9-10,15-16H2,(H,32,35)/t23-,24-/m1/s1.

What are the key properties of NIUCGTZZSFIGTI-DNQXCXABSA-N?

NIUCGTZZSFIGTI-DNQXCXABSA-N has a molecular weight of 559.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for NIUCGTZZSFIGTI-DNQXCXABSA-N is sourced from PubChem (CID 154260878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154260878 — identifiers, structure, computed properties (public domain)

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