N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide

C16H16ClFN2O3S — CID 51162479

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-20(10-12-13(17)7-5-8-14(12)18)16(21)11-6-3-4-9-15(11)19-24(2,22)23/h3-9,19H,10H2,1-2H3
InChIKeyLMUZTNQYLSYIOQ-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide (PubChem CID 51162479) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
PubChem CID51162479
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-20(10-12-13(17)7-5-8-14(12)18)16(21)11-6-3-4-9-15(11)19-24(2,22)23/h3-9,19H,10H2,1-2H3
InChIKeyLMUZTNQYLSYIOQ-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422224
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
1-[(2-chloro-6-fluorophenyl)methyl]-3-[2-(methanesulfonamido)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 119131639
N-[1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55330671
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide (CID 51162479) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is LMUZTNQYLSYIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-20(10-12-13(17)7-5-8-14(12)18)16(21)11-6-3-4-9-15(11)19-24(2,22)23/h3-9,19H,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 370.83 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 51162479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).