N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide

C22H22FNO4S — CID 56728673

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22FNO4S/c1-27-19-9-3-16(4-10-19)15-22(17-5-11-20(28-2)12-6-17)24-29(25,26)21-13-7-18(23)8-14-21/h3-14,22,24H,15H2,1-2H3
InChIKeyGKORVUCBXUBACT-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.11
Rot. Bonds8

About N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide

N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 56728673) has the molecular formula C22H22FNO4S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID56728673
Molecular FormulaC22H22FNO4S
Molecular Weight415.49 g/mol
Exact Mass415.13
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22FNO4S/c1-27-19-9-3-16(4-10-19)15-22(17-5-11-20(28-2)12-6-17)24-29(25,26)21-13-7-18(23)8-14-21/h3-14,22,24H,15H2,1-2H3
InChIKeyGKORVUCBXUBACT-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-(4-fluorophenyl)-7-[(4-methoxyphenyl)sulfonylamino]heptanoate
CID 139616866
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 56728698
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(2S)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 6724362

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide (CID 56728673) is N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide is COc1ccc(CC(NS(=O)(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is GKORVUCBXUBACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4S/c1-27-19-9-3-16(4-10-19)15-22(17-5-11-20(28-2)12-6-17)24-29(25,26)21-13-7-18(23)8-14-21/h3-14,22,24H,15H2,1-2H3.
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 56728673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).