N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide

C17H17F3N2O4S — CID 4280881

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17F3N2O4S/c1-11-4-7-13(10-15(11)27(24,25)22(2)3)21-16(23)12-5-8-14(9-6-12)26-17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyQMRGMULCTHLSCL-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.40
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 4280881) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
PubChem CID4280881
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17F3N2O4S/c1-11-4-7-13(10-15(11)27(24,25)22(2)3)21-16(23)12-5-8-14(9-6-12)26-17(18,19)20/h4-10H,1-3H3,(H,21,23)
InChIKeyQMRGMULCTHLSCL-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
CID 46977366

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide (CID 4280881) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide is Cc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is QMRGMULCTHLSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-11-4-7-13(10-15(11)27(24,25)22(2)3)21-16(23)12-5-8-14(9-6-12)26-17(18,19)20/h4-10H,1-3H3,(H,21,23).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 402.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 4280881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).