N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C18H20F2N2O4S — CID 34273541

IUPACN-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C18H20F2N2O4S/c1-11-9-13(10-16(12(11)2)27(24,25)22(3)4)17(23)21-14-5-7-15(8-6-14)26-18(19)20/h5-10,18H,1-4H3,(H,21,23)
InChIKeyDMVRLCLDYMHVPM-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 34273541) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID34273541
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C18H20F2N2O4S/c1-11-9-13(10-16(12(11)2)27(24,25)22(3)4)17(23)21-14-5-7-15(8-6-14)26-18(19)20/h5-10,18H,1-4H3,(H,21,23)
InChIKeyDMVRLCLDYMHVPM-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-(4-methylsulfanylphenyl)benzamide
CID 42370271
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33156547
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39131564
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26701226
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970
4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
CID 2676650
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2,3,4-trifluorophenyl)benzamide
CID 30272949
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
3-(dimethylsulfamoyl)-N-(3-ethynylphenyl)-4,5-dimethylbenzamide
CID 51337793
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
N-(4-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 26701236

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 34273541) is N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is DMVRLCLDYMHVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-11-9-13(10-16(12(11)2)27(24,25)22(3)4)17(23)21-14-5-7-15(8-6-14)26-18(19)20/h5-10,18H,1-4H3,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 398.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 34273541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).