4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide

C19H14F3N3O2S — CID 170621173

IUPAC4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide
SMILESNS(=O)c1ccc(Cn2c3ccc(OC(F)(F)F)cc3c3ncccc32)cc1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)27-13-5-8-16-15(10-13)18-17(2-1-9-24-18)25(16)11-12-3-6-14(7-4-12)28(23)26/h1-10H,11,23H2
InChIKeyZQZUQWLXFNNTKB-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.12
Rot. Bonds4

About 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide

4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide (PubChem CID 170621173) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide.

Molecular Properties

Compound Name4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide
PubChem CID170621173
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide
SMILESNS(=O)c1ccc(Cn2c3ccc(OC(F)(F)F)cc3c3ncccc32)cc1
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)27-13-5-8-16-15(10-13)18-17(2-1-9-24-18)25(16)11-12-3-6-14(7-4-12)28(23)26/h1-10H,11,23H2
InChIKeyZQZUQWLXFNNTKB-UHFFFAOYSA-N
XLogP4.12
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide?
The IUPAC name of 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide (CID 170621173) is 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide.
What is the SMILES notation for 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide?
The canonical SMILES for 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide is NS(=O)c1ccc(Cn2c3ccc(OC(F)(F)F)cc3c3ncccc32)cc1.
What is the InChIKey of 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide?
The InChIKey is ZQZUQWLXFNNTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)27-13-5-8-16-15(10-13)18-17(2-1-9-24-18)25(16)11-12-3-6-14(7-4-12)28(23)26/h1-10H,11,23H2.
What are the key properties of 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide?
4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide has a molecular weight of 405.40 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(trifluoromethoxy)pyrido[3,2-b]indol-5-yl]methyl]benzenesulfinamide is sourced from PubChem (CID 170621173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).