N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide

C16H14ClF3N2O4S — CID 5134597

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c1-22(2)27(24,25)14-9-11(5-8-13(14)17)21-15(23)10-3-6-12(7-4-10)26-16(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyFDKNSNKAJKUWDG-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.74
Rot. Bonds5

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

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 5134597) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID5134597
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O4S/c1-22(2)27(24,25)14-9-11(5-8-13(14)17)21-15(23)10-3-6-12(7-4-10)26-16(18,19)20/h3-9H,1-2H3,(H,21,23)
InChIKeyFDKNSNKAJKUWDG-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3848312
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 26057843
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (CID 5134597) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is FDKNSNKAJKUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c1-22(2)27(24,25)14-9-11(5-8-13(14)17)21-15(23)10-3-6-12(7-4-10)26-16(18,19)20/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 422.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 5134597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).