N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

C22H22FNO4S — CID 46022772

IUPACN-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(F)c2)C(C)c2ccccc2OC)cc1
InChIInChI=1S/C22H22FNO4S/c1-16(21-9-4-5-10-22(21)28-3)24(18-8-6-7-17(23)15-18)29(25,26)20-13-11-19(27-2)12-14-20/h4-16H,1-3H3
InChIKeyJDLPHETYQDIKBR-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.80
Rot. Bonds7

About N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 46022772) has the molecular formula C22H22FNO4S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID46022772
Molecular FormulaC22H22FNO4S
Molecular Weight415.49 g/mol
Exact Mass415.13
IUPAC NameN-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(F)c2)C(C)c2ccccc2OC)cc1
InChIInChI=1S/C22H22FNO4S/c1-16(21-9-4-5-10-22(21)28-3)24(18-8-6-7-17(23)15-18)29(25,26)20-13-11-19(27-2)12-14-20/h4-16H,1-3H3
InChIKeyJDLPHETYQDIKBR-UHFFFAOYSA-N
XLogP4.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 93207337
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207265
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207489
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
N-[1-(2-methoxyphenyl)ethyl]-4-nitro-N-phenylbenzenesulfonamide
CID 42841873
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 46022772) is N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(F)c2)C(C)c2ccccc2OC)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is JDLPHETYQDIKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4S/c1-16(21-9-4-5-10-22(21)28-3)24(18-8-6-7-17(23)15-18)29(25,26)20-13-11-19(27-2)12-14-20/h4-16H,1-3H3.
What are the key properties of N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46022772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).