N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C16H16F3NO3S — CID 71013497

IUPACN-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C16H16F3NO3S/c1-3-11-8-9-12(10-14(11)23-2)20-24(21,22)15-7-5-4-6-13(15)16(17,18)19/h4-10,20H,3H2,1-2H3
InChIKeyKASLJQHTKHZMAS-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.08
Rot. Bonds5

About N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71013497) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71013497
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC
InChIInChI=1S/C16H16F3NO3S/c1-3-11-8-9-12(10-14(11)23-2)20-24(21,22)15-7-5-4-6-13(15)16(17,18)19/h4-10,20H,3H2,1-2H3
InChIKeyKASLJQHTKHZMAS-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 71013497) is N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC.
What is the InChIKey of N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KASLJQHTKHZMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-3-11-8-9-12(10-14(11)23-2)20-24(21,22)15-7-5-4-6-13(15)16(17,18)19/h4-10,20H,3H2,1-2H3.
What are the key properties of N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71013497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).