1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

C17H17FN4O2S — CID 7197263

IUPAC1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2S/c18-13-5-7-14(8-6-13)25(23,24)22-17(19)20-10-9-12-11-21-16-4-2-1-3-15(12)16/h1-8,11,21H,9-10H2,(H3,19,20,22)
InChIKeyVIOLJNNZDUDHMQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine

1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (PubChem CID 7197263) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
PubChem CID7197263
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine
SMILESN/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2S/c18-13-5-7-14(8-6-13)25(23,24)22-17(19)20-10-9-12-11-21-16-4-2-1-3-15(12)16/h1-8,11,21H,9-10H2,(H3,19,20,22)
InChIKeyVIOLJNNZDUDHMQ-UHFFFAOYSA-N
XLogP2.14
TPSA100.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine (CID 7197263) is 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is N/C(=N\CCc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
The InChIKey is VIOLJNNZDUDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-13-5-7-14(8-6-13)25(23,24)22-17(19)20-10-9-12-11-21-16-4-2-1-3-15(12)16/h1-8,11,21H,9-10H2,(H3,19,20,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine?
1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine has a molecular weight of 360.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-[2-(1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 7197263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).