4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide

C20H20FNO2S — CID 100696895

IUPAC4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2cccc3ccccc23)ccc1F
InChIInChI=1S/C20H20FNO2S/c1-15-14-18(11-12-20(15)21)25(23,24)22-13-5-9-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10-12,14,22H,5,9,13H2,1H3
InChIKeyFUUPPCUEGBFHPQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.20
Rot. Bonds6

About 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide

4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide (PubChem CID 100696895) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
PubChem CID100696895
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC Name4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCc2cccc3ccccc23)ccc1F
InChIInChI=1S/C20H20FNO2S/c1-15-14-18(11-12-20(15)21)25(23,24)22-13-5-9-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10-12,14,22H,5,9,13H2,1H3
InChIKeyFUUPPCUEGBFHPQ-UHFFFAOYSA-N
XLogP4.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
4-fluoro-3-methyl-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzenesulfonamide
CID 9188814
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112993355
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
3,4-dimethyl-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083935
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide (CID 100696895) is 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCc2cccc3ccccc23)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide?
The InChIKey is FUUPPCUEGBFHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c1-15-14-18(11-12-20(15)21)25(23,24)22-13-5-9-17-8-4-7-16-6-2-3-10-19(16)17/h2-4,6-8,10-12,14,22H,5,9,13H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide has a molecular weight of 357.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 100696895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).