4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide

C18H17FN2O2S — CID 19581983

IUPAC4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H17FN2O2S/c1-14(20-24(22,23)18-9-7-16(19)8-10-18)15-5-4-6-17(13-15)21-11-2-3-12-21/h2-14,20H,1H3
InChIKeyMQBIMLQMJADTGO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.66
Rot. Bonds5

About 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide

4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 19581983) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID19581983
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H17FN2O2S/c1-14(20-24(22,23)18-9-7-16(19)8-10-18)15-5-4-6-17(13-15)21-11-2-3-12-21/h2-14,20H,1H3
InChIKeyMQBIMLQMJADTGO-UHFFFAOYSA-N
XLogP3.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-pyrrol-1-ylphenyl)ethyl]methanesulfonamide
CID 19581833
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide (CID 19581983) is 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)c1cccc(-n2cccc2)c1.
What is the InChIKey of 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is MQBIMLQMJADTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-14(20-24(22,23)18-9-7-16(19)8-10-18)15-5-4-6-17(13-15)21-11-2-3-12-21/h2-14,20H,1H3.
What are the key properties of 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 19581983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).