4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C19H16F4N4O2S — CID 22315397

IUPAC4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN1CCc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc(F)c21
InChIInChI=1S/C19H16F4N4O2S/c1-26-7-6-11-8-12(9-15(20)18(11)26)16-10-17(19(21,22)23)25-27(16)13-2-4-14(5-3-13)30(24,28)29/h2-5,8-10H,6-7H2,1H3,(H2,24,28,29)
InChIKeyPIOQDIOIQUBGFF-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.34
Rot. Bonds3

About 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315397) has the molecular formula C19H16F4N4O2S and a molecular weight of 440.42 g/mol. Its IUPAC name is 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315397
Molecular FormulaC19H16F4N4O2S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCN1CCc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc(F)c21
InChIInChI=1S/C19H16F4N4O2S/c1-26-7-6-11-8-12(9-15(20)18(11)26)16-10-17(19(21,22)23)25-27(16)13-2-4-14(5-3-13)30(24,28)29/h2-5,8-10H,6-7H2,1H3,(H2,24,28,29)
InChIKeyPIOQDIOIQUBGFF-UHFFFAOYSA-N
XLogP3.34
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315397) is 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CN1CCc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc(F)c21.
What is the InChIKey of 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is PIOQDIOIQUBGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S/c1-26-7-6-11-8-12(9-15(20)18(11)26)16-10-17(19(21,22)23)25-27(16)13-2-4-14(5-3-13)30(24,28)29/h2-5,8-10H,6-7H2,1H3,(H2,24,28,29).
What are the key properties of 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 440.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoro-1-methyl-2,3-dihydroindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).