N-benzyl-4-fluoro-3-methoxybenzenesulfonamide

C14H14FNO3S — CID 700246

IUPACN-benzyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C14H14FNO3S/c1-19-14-9-12(7-8-13(14)15)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyPVORBVQEFPRUSX-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.31
Rot. Bonds5

About N-benzyl-4-fluoro-3-methoxybenzenesulfonamide

N-benzyl-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 700246) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID700246
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-benzyl-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1F
InChIInChI=1S/C14H14FNO3S/c1-19-14-9-12(7-8-13(14)15)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyPVORBVQEFPRUSX-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide;hydrochloride
CID 117949685
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
3,4-Dimethoxy-N-phenethyl-benzenesulfonamide
CID 740562
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-3-methoxybenzenesulfonamide (CID 700246) is N-benzyl-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccccc2)ccc1F.
What is the InChIKey of N-benzyl-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is PVORBVQEFPRUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-19-14-9-12(7-8-13(14)15)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-4-fluoro-3-methoxybenzenesulfonamide?
N-benzyl-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 700246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).