3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid

C25H22F3N3O6S — CID 126673567

IUPAC3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C25H22F3N3O6S/c26-25(27,28)37-15-9-11-16(12-10-15)38(35,36)29-19-13-30(24(33)34)14-22(23(19)32)31-20-7-3-1-5-17(20)18-6-2-4-8-21(18)31/h1-12,19,22-23,29,32H,13-14H2,(H,33,34)
InChIKeyXKAZLULTYYKFPW-UHFFFAOYSA-N
MW549.53 g/mol
LogP3.94
Rot. Bonds5

About 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid

3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid (PubChem CID 126673567) has the molecular formula C25H22F3N3O6S and a molecular weight of 549.53 g/mol. Its IUPAC name is 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
PubChem CID126673567
Molecular FormulaC25H22F3N3O6S
Molecular Weight549.53 g/mol
Exact Mass549.12
IUPAC Name3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(n2c3ccccc3c3ccccc32)C1
InChIInChI=1S/C25H22F3N3O6S/c26-25(27,28)37-15-9-11-16(12-10-15)38(35,36)29-19-13-30(24(33)34)14-22(23(19)32)31-20-7-3-1-5-17(20)18-6-2-4-8-21(18)31/h1-12,19,22-23,29,32H,13-14H2,(H,33,34)
InChIKeyXKAZLULTYYKFPW-UHFFFAOYSA-N
XLogP3.94
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.53
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid (CID 126673567) is 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid is O=C(O)N1CC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(O)C(n2c3ccccc3c3ccccc32)C1.
What is the InChIKey of 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
The InChIKey is XKAZLULTYYKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O6S/c26-25(27,28)37-15-9-11-16(12-10-15)38(35,36)29-19-13-30(24(33)34)14-22(23(19)32)31-20-7-3-1-5-17(20)18-6-2-4-8-21(18)31/h1-12,19,22-23,29,32H,13-14H2,(H,33,34).
What are the key properties of 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid?
3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid has a molecular weight of 549.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 126673567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).