N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide

C14H10F3N3O2S — CID 2445030

IUPACN-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)11-3-1-2-4-13(11)23(21,22)20-10-6-5-9-8-18-19-12(9)7-10/h1-8,20H,(H,18,19)
InChIKeyUVUQXJONKNFVIX-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.38
Rot. Bonds3

About N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2445030) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2445030
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)11-3-1-2-4-13(11)23(21,22)20-10-6-5-9-8-18-19-12(9)7-10/h1-8,20H,(H,18,19)
InChIKeyUVUQXJONKNFVIX-UHFFFAOYSA-N
XLogP3.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 2445030) is N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UVUQXJONKNFVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)11-3-1-2-4-13(11)23(21,22)20-10-6-5-9-8-18-19-12(9)7-10/h1-8,20H,(H,18,19).
What are the key properties of N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 341.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2445030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).