N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide

C14H10F3N3O2S — CID 121421653

IUPACN-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-3-11(4-2-10)20-23(21,22)12-5-6-13-9(7-12)8-18-19-13/h1-8,20H,(H,18,19)
InChIKeyIKQOWHJTJOIUSF-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.38
Rot. Bonds3

About N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide

N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide (PubChem CID 121421653) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide
PubChem CID121421653
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-3-11(4-2-10)20-23(21,22)12-5-6-13-9(7-12)8-18-19-13/h1-8,20H,(H,18,19)
InChIKeyIKQOWHJTJOIUSF-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-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide (CID 121421653) is N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide?
The InChIKey is IKQOWHJTJOIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)10-1-3-11(4-2-10)20-23(21,22)12-5-6-13-9(7-12)8-18-19-13/h1-8,20H,(H,18,19).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide?
N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide 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-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide is sourced from PubChem (CID 121421653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).