N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide

C17H15FN4O2S — CID 24654065

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1F
InChIInChI=1S/C17H15FN4O2S/c18-14-7-1-2-8-15(14)25(23,24)21-13-6-3-5-12(11-13)17-20-19-16-9-4-10-22(16)17/h1-3,5-8,11,21H,4,9-10H2
InChIKeyFRPQTRLLEBRLCL-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.83
Rot. Bonds4

About N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide

N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 24654065) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID24654065
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1F
InChIInChI=1S/C17H15FN4O2S/c18-14-7-1-2-8-15(14)25(23,24)21-13-6-3-5-12(11-13)17-20-19-16-9-4-10-22(16)17/h1-3,5-8,11,21H,4,9-10H2
InChIKeyFRPQTRLLEBRLCL-UHFFFAOYSA-N
XLogP2.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide (CID 24654065) is N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccccc1F.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is FRPQTRLLEBRLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-14-7-1-2-8-15(14)25(23,24)21-13-6-3-5-12(11-13)17-20-19-16-9-4-10-22(16)17/h1-3,5-8,11,21H,4,9-10H2.
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide?
N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 358.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 24654065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).