LSXHGNKXSHMGJL-UHFFFAOYSA-N

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

C₂₈H₃₁ClN₄O₃S — CID 118678067

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

IUPAC1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole

SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1

InChIInChI=1S/C28H31ClN4O3S/c29-25-5-7-26(8-6-25)37(34,35)32-14-10-21(11-15-32)19-31-13-12-23-17-22(4-9-27(23)31)24-18-30-33(20-24)28-3-1-2-16-36-28/h4-9,12-13,17-18,20-21,28H,1-3,10-11,14-16,19H2

InChIKeyLSXHGNKXSHMGJL-UHFFFAOYSA-N

MW539.10 g/mol

LogP5.96

Rot. Bonds6

About LSXHGNKXSHMGJL-UHFFFAOYSA-N

LSXHGNKXSHMGJL-UHFFFAOYSA-N (PubChem CID 118678067) has the molecular formula C₂₈H₃₁ClN₄O₃S and a molecular weight of 539.10 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole.

Molecular Properties

Compound Name	LSXHGNKXSHMGJL-UHFFFAOYSA-N
PubChem CID	118678067
Molecular Formula	C₂₈H₃₁ClN₄O₃S
Molecular Weight	539.10 g/mol
Exact Mass	538.18
IUPAC Name	1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
SMILES	O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1
InChI	InChI=1S/C28H31ClN4O3S/c29-25-5-7-26(8-6-25)37(34,35)32-14-10-21(11-15-32)19-31-13-12-23-17-22(4-9-27(23)31)24-18-30-33(20-24)28-3-1-2-16-36-28/h4-9,12-13,17-18,20-21,28H,1-3,10-11,14-16,19H2
InChIKey	LSXHGNKXSHMGJL-UHFFFAOYSA-N
XLogP	5.96
TPSA	69.36 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.10
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of LSXHGNKXSHMGJL-UHFFFAOYSA-N (CID 118678067) is 1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole.

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

The canonical SMILES for LSXHGNKXSHMGJL-UHFFFAOYSA-N is O=S(=O)(c1ccc(Cl)cc1)N1CCC(Cn2ccc3cc(-c4cnn(C5CCCCO5)c4)ccc32)CC1.

What is the InChIKey of LSXHGNKXSHMGJL-UHFFFAOYSA-N?

The InChIKey is LSXHGNKXSHMGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O3S/c29-25-5-7-26(8-6-25)37(34,35)32-14-10-21(11-15-32)19-31-13-12-23-17-22(4-9-27(23)31)24-18-30-33(20-24)28-3-1-2-16-36-28/h4-9,12-13,17-18,20-21,28H,1-3,10-11,14-16,19H2.

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

LSXHGNKXSHMGJL-UHFFFAOYSA-N has a molecular weight of 539.10 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for LSXHGNKXSHMGJL-UHFFFAOYSA-N is sourced from PubChem (CID 118678067), 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 118678067 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.