N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

C16H18FNO2S — CID 2223394

IUPACN-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H18FNO2S/c1-12-8-9-16(13(2)10-12)18(21(3,19)20)11-14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3
InChIKeyXNCLSAWBUAPAMQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.41
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 2223394) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID2223394
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C16H18FNO2S/c1-12-8-9-16(13(2)10-12)18(21(3,19)20)11-14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3
InChIKeyXNCLSAWBUAPAMQ-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 2223394) is N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is Cc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is XNCLSAWBUAPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12-8-9-16(13(2)10-12)18(21(3,19)20)11-14-6-4-5-7-15(14)17/h4-10H,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 2223394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).