4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C16H16F3NO3S — CID 43001289

IUPAC4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-11(12-4-3-5-13(10-12)16(17,18)19)20-24(21,22)15-8-6-14(23-2)7-9-15/h3-11,20H,1-2H3
InChIKeySFRJVDWSNOQFEW-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.75
Rot. Bonds5

About 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 43001289) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID43001289
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC Name4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H16F3NO3S/c1-11(12-4-3-5-13(10-12)16(17,18)19)20-24(21,22)15-8-6-14(23-2)7-9-15/h3-11,20H,1-2H3
InChIKeySFRJVDWSNOQFEW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
[3-(trifluoromethyl)phenyl]methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927693
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24616283
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
CID 164862066

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 43001289) is 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is SFRJVDWSNOQFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-11(12-4-3-5-13(10-12)16(17,18)19)20-24(21,22)15-8-6-14(23-2)7-9-15/h3-11,20H,1-2H3.
What are the key properties of 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 43001289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).