N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H16F3NO4S — CID 4828145

IUPACN-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO4S/c1-11(14-5-3-4-6-15(14)23-2)20-25(21,22)13-9-7-12(8-10-13)24-16(17,18)19/h3-11,20H,1-2H3
InChIKeyBOLCUWOOHPQUGT-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.63
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 4828145) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID4828145
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO4S/c1-11(14-5-3-4-6-15(14)23-2)20-25(21,22)13-9-7-12(8-10-13)24-16(17,18)19/h3-11,20H,1-2H3
InChIKeyBOLCUWOOHPQUGT-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

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 4828145) is N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BOLCUWOOHPQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-11(14-5-3-4-6-15(14)23-2)20-25(21,22)13-9-7-12(8-10-13)24-16(17,18)19/h3-11,20H,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(2-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-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 4828145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).