5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide

C16H15F3N2O4S2 — CID 68780541

IUPAC5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25)
InChIKeyRUICTWDYCKTARZ-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.07
Rot. Bonds5

About 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide

5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide (PubChem CID 68780541) has the molecular formula C16H15F3N2O4S2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
PubChem CID68780541
Molecular FormulaC16H15F3N2O4S2
Molecular Weight420.43 g/mol
Exact Mass420.04
IUPAC Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25)
InChIKeyRUICTWDYCKTARZ-UHFFFAOYSA-N
XLogP3.07
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide (CID 68780541) is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide is Cc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The InChIKey is RUICTWDYCKTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25).
What are the key properties of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide has a molecular weight of 420.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 68780541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).