4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C16H16F3NO3S — CID 39824387

IUPAC4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H16F3NO3S/c1-3-23-15-8-7-14(9-11(15)2)24(21,22)20-13-6-4-5-12(10-13)16(17,18)19/h4-10,20H,3H2,1-2H3
InChIKeyLTSVFMPZPSZODB-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.21
Rot. Bonds5

About 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 39824387) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID39824387
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C16H16F3NO3S/c1-3-23-15-8-7-14(9-11(15)2)24(21,22)20-13-6-4-5-12(10-13)16(17,18)19/h4-10,20H,3H2,1-2H3
InChIKeyLTSVFMPZPSZODB-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 86891705
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 39837582
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-butoxy-N-(3-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 91758551

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 39824387) is 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is LTSVFMPZPSZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-3-23-15-8-7-14(9-11(15)2)24(21,22)20-13-6-4-5-12(10-13)16(17,18)19/h4-10,20H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 39824387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).