N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide

C22H21F2NO4S — CID 22482306

IUPACN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C22H21F2NO4S/c1-14(25-30(26,27)22-11-9-16(28-2)13-21(22)29-3)17-6-4-5-7-18(17)19-10-8-15(23)12-20(19)24/h4-14,25H,1-3H3
InChIKeyAKROREHQWBUYTB-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.69
Rot. Bonds7

About N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide

N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22482306) has the molecular formula C22H21F2NO4S and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22482306
Molecular FormulaC22H21F2NO4S
Molecular Weight433.48 g/mol
Exact Mass433.12
IUPAC NameN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c(OC)c1
InChIInChI=1S/C22H21F2NO4S/c1-14(25-30(26,27)22-11-9-16(28-2)13-21(22)29-3)17-6-4-5-7-18(17)19-10-8-15(23)12-20(19)24/h4-14,25H,1-3H3
InChIKeyAKROREHQWBUYTB-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
CID 22482284
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
1-[2-(2,4-dimethoxyphenyl)phenyl]-N-ethylethanamine
CID 61033910

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide (CID 22482306) is N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c(OC)c1.
What is the InChIKey of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is AKROREHQWBUYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO4S/c1-14(25-30(26,27)22-11-9-16(28-2)13-21(22)29-3)17-6-4-5-7-18(17)19-10-8-15(23)12-20(19)24/h4-14,25H,1-3H3.
What are the key properties of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 433.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22482306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).