N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide

C22H21F2NO4S — CID 162661934

IUPACN,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H21F2NO4S/c1-28-20-11-12-21(29-2)22(13-20)30(26,27)25(14-16-3-7-18(23)8-4-16)15-17-5-9-19(24)10-6-17/h3-13H,14-15H2,1-2H3
InChIKeyGIEYMQPOOQJLDL-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.37
Rot. Bonds8

About N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide

N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 162661934) has the molecular formula C22H21F2NO4S and a molecular weight of 433.48 g/mol. Its IUPAC name is N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID162661934
Molecular FormulaC22H21F2NO4S
Molecular Weight433.48 g/mol
Exact Mass433.12
IUPAC NameN,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H21F2NO4S/c1-28-20-11-12-21(29-2)22(13-20)30(26,27)25(14-16-3-7-18(23)8-4-16)15-17-5-9-19(24)10-6-17/h3-13H,14-15H2,1-2H3
InChIKeyGIEYMQPOOQJLDL-UHFFFAOYSA-N
XLogP4.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide (CID 162661934) is N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1.
What is the InChIKey of N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is GIEYMQPOOQJLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO4S/c1-28-20-11-12-21(29-2)22(13-20)30(26,27)25(14-16-3-7-18(23)8-4-16)15-17-5-9-19(24)10-6-17/h3-13H,14-15H2,1-2H3.
What are the key properties of N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 433.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-fluorophenyl)methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 162661934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).