N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

C16H18FNO2S — CID 961740

IUPACN-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H18FNO2S/c1-12-8-9-15(10-13(12)2)18(21(3,19)20)11-14-6-4-5-7-16(14)17/h4-10H,11H2,1-3H3
InChIKeyRPHNDOWPFQPLKA-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.41
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 961740) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID961740
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H18FNO2S/c1-12-8-9-15(10-13(12)2)18(21(3,19)20)11-14-6-4-5-7-16(14)17/h4-10H,11H2,1-3H3
InChIKeyRPHNDOWPFQPLKA-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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Related Compounds

2-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
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(2R)-N-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100560388
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132620093
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217975
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 125092222
N-(2,6-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 2206398
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463949
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
N-(2,4-difluorophenyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 19062175
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-butylpropanamide
CID 133151643

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 961740) is N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is Cc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is RPHNDOWPFQPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-12-8-9-15(10-13(12)2)18(21(3,19)20)11-14-6-4-5-7-16(14)17/h4-10H,11H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-(3,4-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-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 961740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).