4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C13H19F3N2O2S — CID 62147634

IUPAC4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-11-5-7-12(8-6-11)21(19,20)18(10(2)3)9-13(14,15)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyFVFFTVWNHDWHFV-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.08
Rot. Bonds6

About 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 62147634) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID62147634
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C13H19F3N2O2S/c1-4-17-11-5-7-12(8-6-11)21(19,20)18(10(2)3)9-13(14,15)16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyFVFFTVWNHDWHFV-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 62147964
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-butan-2-yl-4-(ethylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 62157610
N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62158366
N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55024925
2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54979868
2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81242025
N-(1-cyanopropan-2-yl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 63228547
N-[2-[di(propan-2-yl)amino]ethyl]-N-propan-2-yl-4-(trifluoromethylsulfonylamino)benzenesulfonamide
CID 15599391
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 62147634) is 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)N(CC(F)(F)F)C(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FVFFTVWNHDWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-4-17-11-5-7-12(8-6-11)21(19,20)18(10(2)3)9-13(14,15)16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 62147634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).