N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide

C17H17ClF3NO2S — CID 22201415

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C
InChIInChI=1S/C17H17ClF3NO2S/c1-9-7-10(2)12(4)16(11(9)3)25(23,24)22-15-6-5-13(18)8-14(15)17(19,20)21/h5-8,22H,1-4H3
InChIKeyILPBIKWFXKRGQB-UHFFFAOYSA-N
MW391.84 g/mol
LogP5.39
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22201415) has the molecular formula C17H17ClF3NO2S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22201415
Molecular FormulaC17H17ClF3NO2S
Molecular Weight391.84 g/mol
Exact Mass391.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C
InChIInChI=1S/C17H17ClF3NO2S/c1-9-7-10(2)12(4)16(11(9)3)25(23,24)22-15-6-5-13(18)8-14(15)17(19,20)21/h5-8,22H,1-4H3
InChIKeyILPBIKWFXKRGQB-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.84
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 22201415) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1C.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is ILPBIKWFXKRGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO2S/c1-9-7-10(2)12(4)16(11(9)3)25(23,24)22-15-6-5-13(18)8-14(15)17(19,20)21/h5-8,22H,1-4H3.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 391.84 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22201415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).