N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C16H18FNO2S — CID 110779627

IUPACN-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO2S/c1-12-3-4-15(9-13(12)2)10-18-21(19,20)11-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3
InChIKeyYGQVNOKCFAZMLY-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.06
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110779627) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110779627
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO2S/c1-12-3-4-15(9-13(12)2)10-18-21(19,20)11-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3
InChIKeyYGQVNOKCFAZMLY-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
CID 120716079
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110779627) is N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is Cc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is YGQVNOKCFAZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12-3-4-15(9-13(12)2)10-18-21(19,20)11-14-5-7-16(17)8-6-14/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110779627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).