N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide

C17H17F2NO4S — CID 35683846

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H17F2NO4S/c1-20(11-12-7-9-13(10-8-12)24-17(18)19)16(21)14-5-3-4-6-15(14)25(2,22)23/h3-10,17H,11H2,1-2H3
InChIKeyTUISTPLZCXWRJU-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.96
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide (PubChem CID 35683846) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
PubChem CID35683846
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H17F2NO4S/c1-20(11-12-7-9-13(10-8-12)24-17(18)19)16(21)14-5-3-4-6-15(14)25(2,22)23/h3-10,17H,11H2,1-2H3
InChIKeyTUISTPLZCXWRJU-UHFFFAOYSA-N
XLogP2.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 134059081
N-methyl-2-methylsulfonyl-N-[(4-phenylphenyl)methyl]benzamide
CID 134004869
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-5-sulfamoylthiophene-3-carboxamide
CID 51270529
N-[[4-(difluoromethoxy)phenyl]methyl]-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31238666
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51169219
2-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylquinoline-4-carboxamide
CID 31361414
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide (CID 35683846) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide?
The InChIKey is TUISTPLZCXWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-20(11-12-7-9-13(10-8-12)24-17(18)19)16(21)14-5-3-4-6-15(14)25(2,22)23/h3-10,17H,11H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide has a molecular weight of 369.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylbenzamide is sourced from PubChem (CID 35683846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).