N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H16F3NO4S — CID 3341843

IUPACN-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO4S/c1-11(12-4-3-5-14(10-12)23-2)20-25(21,22)15-8-6-13(7-9-15)24-16(17,18)19/h3-11,20H,1-2H3
InChIKeyGVXNZMZBDVVRGC-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.63
Rot. Bonds6

About N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3341843) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3341843
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3NO4S/c1-11(12-4-3-5-14(10-12)23-2)20-25(21,22)15-8-6-13(7-9-15)24-16(17,18)19/h3-11,20H,1-2H3
InChIKeyGVXNZMZBDVVRGC-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3341843) is N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GVXNZMZBDVVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-11(12-4-3-5-14(10-12)23-2)20-25(21,22)15-8-6-13(7-9-15)24-16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3341843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).