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

C14H10F3N3O3S — CID 3842766

IUPACN-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-10-6-5-9-8-18-19-11(9)7-10/h1-8,20H,(H,18,19)
InChIKeyYOTOQPMAEVCYHM-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.26
Rot. Bonds4

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

N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3842766) has the molecular formula C14H10F3N3O3S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3842766
Molecular FormulaC14H10F3N3O3S
Molecular Weight357.31 g/mol
Exact Mass357.04
IUPAC NameN-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-10-6-5-9-8-18-19-11(9)7-10/h1-8,20H,(H,18,19)
InChIKeyYOTOQPMAEVCYHM-UHFFFAOYSA-N
XLogP3.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide (CID 3842766) is N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YOTOQPMAEVCYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S/c15-14(16,17)23-12-3-1-2-4-13(12)24(21,22)20-10-6-5-9-8-18-19-11(9)7-10/h1-8,20H,(H,18,19).
What are the key properties of N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 357.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3842766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).