4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

C17H20FNO2S — CID 22204665

IUPAC4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-4-14-5-7-15(8-6-14)13(2)19-22(20,21)17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyLODDZRJPCHJATP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.82
Rot. Bonds6

About 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (PubChem CID 22204665) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
PubChem CID22204665
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-3-4-14-5-7-15(8-6-14)13(2)19-22(20,21)17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3
InChIKeyLODDZRJPCHJATP-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (CID 22204665) is 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is CCCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LODDZRJPCHJATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-3-4-14-5-7-15(8-6-14)13(2)19-22(20,21)17-11-9-16(18)10-12-17/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22204665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).