N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide

C15H16FNO3S — CID 110776517

IUPACN-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1F
InChIInChI=1S/C15H16FNO3S/c1-11-5-3-4-6-12(11)10-21(18,19)17-13-7-8-15(20-2)14(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyVJZQVJWKDJMRCM-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.08
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide

N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110776517) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
PubChem CID110776517
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1F
InChIInChI=1S/C15H16FNO3S/c1-11-5-3-4-6-12(11)10-21(18,19)17-13-7-8-15(20-2)14(16)9-13/h3-9,17H,10H2,1-2H3
InChIKeyVJZQVJWKDJMRCM-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
CID 110776446
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
CID 46770519
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(2-methylphenyl)methanesulfonamide
CID 18676511

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide (CID 110776517) is N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide is COc1ccc(NS(=O)(=O)Cc2ccccc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is VJZQVJWKDJMRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11-5-3-4-6-12(11)10-21(18,19)17-13-7-8-15(20-2)14(16)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide?
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110776517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).