N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

C22H17F4N3O2S — CID 46831696

IUPACN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3
InChIKeyWAKOIDMSJVVKKI-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.15
Rot. Bonds5

About N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide

N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46831696) has the molecular formula C22H17F4N3O2S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46831696
Molecular FormulaC22H17F4N3O2S
Molecular Weight463.46 g/mol
Exact Mass463.10
IUPAC NameN-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3
InChIKeyWAKOIDMSJVVKKI-UHFFFAOYSA-N
XLogP5.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 46831696) is N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WAKOIDMSJVVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2S/c1-2-28-32(30,31)18-8-9-19(20(12-18)22(24,25)26)14-3-10-21-15(11-14)13-27-29(21)17-6-4-16(23)5-7-17/h3-13,28H,2H2,1H3.
What are the key properties of N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 463.46 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46831696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).