N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide

C16H18FNO4S — CID 30867039

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c1-12-3-8-15(21-2)16(11-12)23(19,20)18-9-10-22-14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQCEPDEAZFMQIDD-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 30867039) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID30867039
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c1-12-3-8-15(21-2)16(11-12)23(19,20)18-9-10-22-14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3
InChIKeyQCEPDEAZFMQIDD-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-isopropyl-2-methoxy-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 4565916
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
4-ethoxy-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 2224391
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2231172
5-tert-butyl-2-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2967885
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
N-benzyl-3-ethoxy-4-fluorobenzenesulfonamide
CID 2980747
(3R)-3-benzyl-9-fluoro-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 51359579
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-methylbenzenesulfonamide
CID 162645766

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 30867039) is N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is QCEPDEAZFMQIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-12-3-8-15(21-2)16(11-12)23(19,20)18-9-10-22-14-6-4-13(17)5-7-14/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 30867039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).