N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide

C17H18FNO5S — CID 51119346

IUPACN-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cc(OC)c1C
InChIInChI=1S/C17H18FNO5S/c1-11-15(23-2)8-13(9-16(11)24-3)17(20)19-25(21,22)10-12-4-6-14(18)7-5-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyBBPIOCNKVAYACT-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.41
Rot. Bonds6

About N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide

N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 51119346) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID51119346
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC NameN-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cc(OC)c1C
InChIInChI=1S/C17H18FNO5S/c1-11-15(23-2)8-13(9-16(11)24-3)17(20)19-25(21,22)10-12-4-6-14(18)7-5-12/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyBBPIOCNKVAYACT-UHFFFAOYSA-N
XLogP2.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 55325913
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
3,5-dimethoxy-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-phenylmethoxybenzamide
CID 38123236
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
2-[(4-fluorophenyl)methylsulfonylamino]-4-methoxybutanoic acid
CID 62478270
1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone
CID 165436373

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide (CID 51119346) is N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NS(=O)(=O)Cc2ccc(F)cc2)cc(OC)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is BBPIOCNKVAYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-11-15(23-2)8-13(9-16(11)24-3)17(20)19-25(21,22)10-12-4-6-14(18)7-5-12/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide?
N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 367.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 51119346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).