4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C13H19F3N2O2S — CID 107328918

IUPAC4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-11-7-9(2)12(10(3)8-11)21(19,20)18-6-5-13(14,15)16/h7-8,17-18H,4-6H2,1-3H3
InChIKeyZJDVTPSQQZZKKK-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.97
Rot. Bonds6

About 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 107328918) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID107328918
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCCNc1cc(C)c(S(=O)(=O)NCCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-11-7-9(2)12(10(3)8-11)21(19,20)18-6-5-13(14,15)16/h7-8,17-18H,4-6H2,1-3H3
InChIKeyZJDVTPSQQZZKKK-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-4-(ethylamino)-2,6-dimethylbenzenesulfonamide
CID 107329148
3-[[4-(ethylamino)-2,6-dimethylphenyl]sulfonylamino]propanamide
CID 107328689
4-(ethylamino)-N,2,6-trimethylbenzenesulfonamide
CID 107328529
4-(ethylamino)-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331206
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484
4-tert-butyl-2,6-dimethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973128
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
4-(ethylamino)-2,6-dimethyl-N-piperidin-1-ylbenzenesulfonamide
CID 107329086
5-(ethylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80731137
4-(ethylamino)-2,6-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 107328677

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 107328918) is 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CCNc1cc(C)c(S(=O)(=O)NCCC(F)(F)F)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is ZJDVTPSQQZZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-4-17-11-7-9(2)12(10(3)8-11)21(19,20)18-6-5-13(14,15)16/h7-8,17-18H,4-6H2,1-3H3.
What are the key properties of 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,6-dimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 107328918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).