N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide

C14H14FNO3S — CID 6470178

IUPACN-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-4-11(15)9-14(10)16-20(17,18)13-7-5-12(19-2)6-8-13/h3-9,16H,1-2H3
InChIKeyMPKWEYPSFKXXBJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide

N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide (PubChem CID 6470178) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
PubChem CID6470178
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-3-4-11(15)9-14(10)16-20(17,18)13-7-5-12(19-2)6-8-13/h3-9,16H,1-2H3
InChIKeyMPKWEYPSFKXXBJ-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

4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
CID 154073636

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide (CID 6470178) is N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is MPKWEYPSFKXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-3-4-11(15)9-14(10)16-20(17,18)13-7-5-12(19-2)6-8-13/h3-9,16H,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide?
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide 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-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6470178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).