N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide

C20H11Cl2F6NO2S — CID 91309099

IUPACN-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H11Cl2F6NO2S/c21-14-9-15(22)11-17(10-14)29(16-4-2-1-3-5-16)32(30,31)18-7-12(19(23,24)25)6-13(8-18)20(26,27)28/h1-11H
InChIKeyBISHITKFXMVWCM-UHFFFAOYSA-N
MW514.27 g/mol
LogP7.56
Rot. Bonds4

About N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide

N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 91309099) has the molecular formula C20H11Cl2F6NO2S and a molecular weight of 514.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID91309099
Molecular FormulaC20H11Cl2F6NO2S
Molecular Weight514.27 g/mol
Exact Mass512.98
IUPAC NameN-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H11Cl2F6NO2S/c21-14-9-15(22)11-17(10-14)29(16-4-2-1-3-5-16)32(30,31)18-7-12(19(23,24)25)6-13(8-18)20(26,27)28/h1-11H
InChIKeyBISHITKFXMVWCM-UHFFFAOYSA-N
XLogP7.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.27
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
CID 1486690
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
CID 172578620
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
4-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl chloride;4-(3,5-dichlorophenyl)benzenesulfonyl chloride
CID 162262114
2,6-dichloro-N,N-diphenylbenzenesulfonamide
CID 3332865
1-[benzenesulfonyl(phenyl)methyl]-3-chloro-5-(trifluoromethyl)benzene
CID 101347484
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
CID 25022575
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
CID 2807423
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 91309099) is N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is BISHITKFXMVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F6NO2S/c21-14-9-15(22)11-17(10-14)29(16-4-2-1-3-5-16)32(30,31)18-7-12(19(23,24)25)6-13(8-18)20(26,27)28/h1-11H.
What are the key properties of N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 514.27 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91309099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).