N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

C17H20FNO3S — CID 112823083

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C17H20FNO3S/c1-11-5-6-14(9-16(11)18)10-19-23(20,21)15-7-12(2)17(22-4)13(3)8-15/h5-9,19H,10H2,1-4H3
InChIKeyXNFCMTOVCRAIEO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide

N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 112823083) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID112823083
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccc(C)c(F)c2)cc1C
InChIInChI=1S/C17H20FNO3S/c1-11-5-6-14(9-16(11)18)10-19-23(20,21)15-7-12(2)17(22-4)13(3)8-15/h5-9,19H,10H2,1-4H3
InChIKeyXNFCMTOVCRAIEO-UHFFFAOYSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(3-fluoro-4-methylphenyl)methylsulfamoyl]benzoate
CID 31770306
4-methoxy-3,5-dimethyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzenesulfonamide
CID 112823116
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
4-methoxy-3,5-dimethyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890547
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide (CID 112823083) is N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCc2ccc(C)c(F)c2)cc1C.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is XNFCMTOVCRAIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-11-5-6-14(9-16(11)18)10-19-23(20,21)15-7-12(2)17(22-4)13(3)8-15/h5-9,19H,10H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide?
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.24, 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-methylphenyl)methyl]-4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 112823083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).