6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide

C17H14F3N3O3S — CID 123870107

IUPAC6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CC(O)Nc1ccc(C(F)(F)F)cc1-3
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)8-1-3-14-12(5-8)16-11(7-15(24)22-14)10-6-9(27(21,25)26)2-4-13(10)23-16/h1-6,15,22-24H,7H2,(H2,21,25,26)
InChIKeyAXEBMRTVCYVRSP-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.79
Rot. Bonds1

About 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide

6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide (PubChem CID 123870107) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide.

Molecular Properties

Compound Name6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
PubChem CID123870107
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
SMILESNS(=O)(=O)c1ccc2[nH]c3c(c2c1)CC(O)Nc1ccc(C(F)(F)F)cc1-3
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)8-1-3-14-12(5-8)16-11(7-15(24)22-14)10-6-9(27(21,25)26)2-4-13(10)23-16/h1-6,15,22-24H,7H2,(H2,21,25,26)
InChIKeyAXEBMRTVCYVRSP-UHFFFAOYSA-N
XLogP2.79
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide?
The IUPAC name of 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide (CID 123870107) is 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide.
What is the SMILES notation for 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide?
The canonical SMILES for 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide is NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CC(O)Nc1ccc(C(F)(F)F)cc1-3.
What is the InChIKey of 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide?
The InChIKey is AXEBMRTVCYVRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c18-17(19,20)8-1-3-14-12(5-8)16-11(7-15(24)22-14)10-6-9(27(21,25)26)2-4-13(10)23-16/h1-6,15,22-24H,7H2,(H2,21,25,26).
What are the key properties of 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide?
6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide has a molecular weight of 397.38 g/mol, XLogP of 2.79, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide is sourced from PubChem (CID 123870107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).