4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide

C16H15FN2O2S — CID 4625387

IUPAC4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2
InChIKeyALPPPJPFVHETAQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.76
Rot. Bonds5

About 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide

4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide (PubChem CID 4625387) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
PubChem CID4625387
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2
InChIKeyALPPPJPFVHETAQ-UHFFFAOYSA-N
XLogP2.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 108780319
methyl 4-(3-indol-1-ylpropylsulfamoyl)benzoate
CID 47013165
1-[2-(dimethylsulfamoylamino)ethyl]indole
CID 110732667
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
2-fluoro-N-(2-indol-1-ylethyl)aniline
CID 62562125
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
1-(2-phenylethyl)indole
CID 12601752
1-(2-fluoroethyl)indole
CID 80694500
2-(3-fluorophenyl)-N-(3-indol-1-ylpropyl)acetamide
CID 51165336

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide (CID 4625387) is 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide?
The InChIKey is ALPPPJPFVHETAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-14-5-7-15(8-6-14)22(20,21)18-10-12-19-11-9-13-3-1-2-4-16(13)19/h1-9,11,18H,10,12H2.
What are the key properties of 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide?
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 4625387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).