N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

C14H14FNO3S — CID 40727137

IUPACN-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C14H14FNO3S/c1-10-9-11(7-8-14(10)19-2)20(17,18)16-13-6-4-3-5-12(13)15/h3-9,16H,1-2H3
InChIKeyJMYAZBCDKOXUHF-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 40727137) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID40727137
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C14H14FNO3S/c1-10-9-11(7-8-14(10)19-2)20(17,18)16-13-6-4-3-5-12(13)15/h3-9,16H,1-2H3
InChIKeyJMYAZBCDKOXUHF-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 40727137) is N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C.
What is the InChIKey of N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is JMYAZBCDKOXUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-9-11(7-8-14(10)19-2)20(17,18)16-13-6-4-3-5-12(13)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 40727137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).