N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide

C9H10F3NO2S — CID 46769593

IUPACN,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c1-13(2)16(14,15)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyJXRSQKCMXSYFKI-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.96
Rot. Bonds2

About N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide

N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 46769593) has the molecular formula C9H10F3NO2S and a molecular weight of 253.25 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID46769593
Molecular FormulaC9H10F3NO2S
Molecular Weight253.25 g/mol
Exact Mass253.04
IUPAC NameN,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S/c1-13(2)16(14,15)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3
InChIKeyJXRSQKCMXSYFKI-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide (CID 46769593) is N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JXRSQKCMXSYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-13(2)16(14,15)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide?
N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 253.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46769593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).