3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide

C9H10F3NO3S — CID 142775606

IUPAC3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1C
InChIInChI=1S/C9H10F3NO3S/c1-5-3-4-7(17(13,14)15)8(6(5)2)16-9(10,11)12/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyMQXDPKZXMDCBLG-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.85
Rot. Bonds2

About 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide

3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 142775606) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID142775606
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1C
InChIInChI=1S/C9H10F3NO3S/c1-5-3-4-7(17(13,14)15)8(6(5)2)16-9(10,11)12/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyMQXDPKZXMDCBLG-UHFFFAOYSA-N
XLogP1.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide (CID 142775606) is 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(OC(F)(F)F)c1C.
What is the InChIKey of 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is MQXDPKZXMDCBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-5-3-4-7(17(13,14)15)8(6(5)2)16-9(10,11)12/h3-4H,1-2H3,(H2,13,14,15).
What are the key properties of 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide?
3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 142775606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).