4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide

C15H16FNO2S — CID 7314460

IUPAC4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyFLVMWEHREGNUDG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.66
Rot. Bonds5

About 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide

4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 7314460) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID7314460
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C15H16FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyFLVMWEHREGNUDG-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
4-fluoro-3-methyl-N-(3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 100696895
5-[2-[4-(4-fluoro-3-methylphenoxy)phenyl]ethylsulfamoyl]-2-methylbenzoic acid
CID 11655168
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 7314460) is 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is FLVMWEHREGNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12-11-14(7-8-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 2.66, 5 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-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 7314460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).