4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide

C15H16FNO3S — CID 35609122

IUPAC4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-12-11-13(16)7-8-15(12)21(18,19)17-9-10-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyRIBOLZNGEAJSMF-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.49
Rot. Bonds6

About 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide

4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 35609122) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID35609122
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-12-11-13(16)7-8-15(12)21(18,19)17-9-10-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyRIBOLZNGEAJSMF-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
2,4-difluoro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 110758295
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N-[2-(4-fluorophenoxy)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100563271

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide (CID 35609122) is 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is RIBOLZNGEAJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-12-11-13(16)7-8-15(12)21(18,19)17-9-10-20-14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 35609122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).