QJYZXCLZGZROIV-UHFFFAOYSA-N

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

C₁₆H₁₃F₃N₈O₂S — CID 118257024

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

IUPAC3-(2-amino-7-methyl-3H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

SMILESCc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)c2[nH]c(N)nc12

InChIInChI=1S/C16H13F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)

InChIKeyQJYZXCLZGZROIV-UHFFFAOYSA-N

MW438.40 g/mol

LogP1.97

Rot. Bonds3

About QJYZXCLZGZROIV-UHFFFAOYSA-N

QJYZXCLZGZROIV-UHFFFAOYSA-N (PubChem CID 118257024) has the molecular formula C₁₆H₁₃F₃N₈O₂S and a molecular weight of 438.40 g/mol. Its IUPAC name is 3-(2-amino-7-methyl-3H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name	QJYZXCLZGZROIV-UHFFFAOYSA-N
PubChem CID	118257024
Molecular Formula	C₁₆H₁₃F₃N₈O₂S
Molecular Weight	438.40 g/mol
Exact Mass	438.08
IUPAC Name	3-(2-amino-7-methyl-3H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILES	Cc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)c2[nH]c(N)nc12
InChI	InChI=1S/C16H13F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
InChIKey	QJYZXCLZGZROIV-UHFFFAOYSA-N
XLogP	1.97
TPSA	169.32 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	3
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.40
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of QJYZXCLZGZROIV-UHFFFAOYSA-N (CID 118257024) is 3-(2-amino-7-methyl-3H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

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

The canonical SMILES for QJYZXCLZGZROIV-UHFFFAOYSA-N is Cc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)c2[nH]c(N)nc12.

What is the InChIKey of QJYZXCLZGZROIV-UHFFFAOYSA-N?

The InChIKey is QJYZXCLZGZROIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N8O2S/c1-6-2-3-8(12-11(6)22-15(20)23-12)7-4-5-9(16(17,18)19)13(30(21,28)29)10(7)14-24-26-27-25-14/h2-5H,1H3,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27).

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

QJYZXCLZGZROIV-UHFFFAOYSA-N has a molecular weight of 438.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for QJYZXCLZGZROIV-UHFFFAOYSA-N is sourced from PubChem (CID 118257024), 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 118257024 — identifiers, structure, computed properties (public domain)

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