N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide

C16H14ClF2NO4S — CID 2668895

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-9-7-13(14(24-2)8-12(9)17)20-15(21)10-3-5-11(6-4-10)25(22,23)16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeySGFVDSTTWWNMOE-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.91
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 2668895) has the molecular formula C16H14ClF2NO4S and a molecular weight of 389.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID2668895
Molecular FormulaC16H14ClF2NO4S
Molecular Weight389.81 g/mol
Exact Mass389.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H14ClF2NO4S/c1-9-7-13(14(24-2)8-12(9)17)20-15(21)10-3-5-11(6-4-10)25(22,23)16(18)19/h3-8,16H,1-2H3,(H,20,21)
InChIKeySGFVDSTTWWNMOE-UHFFFAOYSA-N
XLogP3.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 60615698
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
4-(difluoromethylsulfonyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 4876013
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 42992560
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide (CID 2668895) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is SGFVDSTTWWNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S/c1-9-7-13(14(24-2)8-12(9)17)20-15(21)10-3-5-11(6-4-10)25(22,23)16(18)19/h3-8,16H,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 389.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 2668895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).