N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C16H16F3NO2S — CID 3835730

IUPACN-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-3-20(14-6-4-5-12(2)11-14)23(21,22)15-9-7-13(8-10-15)16(17,18)19/h4-11H,3H2,1-2H3
InChIKeyFELSJNCEXRSZQG-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.23
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3835730) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3835730
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-3-20(14-6-4-5-12(2)11-14)23(21,22)15-9-7-13(8-10-15)16(17,18)19/h4-11H,3H2,1-2H3
InChIKeyFELSJNCEXRSZQG-UHFFFAOYSA-N
XLogP4.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(2-methylbutan-2-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 3672777
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
4-[ethyl-(3-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109058243
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
3-[ethyl-(4-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 54004952
N-[3-(3-methylphenyl)propyl]-2-[3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]sulfonylanilino]acetamide
CID 44530184
N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383266
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
N-ethyl-2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 62146204
4-bromo-N-ethyl-N-(3-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3480168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3835730) is N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FELSJNCEXRSZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-3-20(14-6-4-5-12(2)11-14)23(21,22)15-9-7-13(8-10-15)16(17,18)19/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 343.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3835730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).