2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide

C9H9ClF3NO2S — CID 60639860

IUPAC2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3NO2S/c1-14(2)17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5H,1-2H3
InChIKeyJFKSEHHSVLFDOT-UHFFFAOYSA-N
MW287.69 g/mol
LogP2.61
Rot. Bonds2

About 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 60639860) has the molecular formula C9H9ClF3NO2S and a molecular weight of 287.69 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID60639860
Molecular FormulaC9H9ClF3NO2S
Molecular Weight287.69 g/mol
Exact Mass287.00
IUPAC Name2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H9ClF3NO2S/c1-14(2)17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5H,1-2H3
InChIKeyJFKSEHHSVLFDOT-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide (CID 60639860) is 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JFKSEHHSVLFDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO2S/c1-14(2)17(15,16)8-5-6(9(11,12)13)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 287.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60639860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).