N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide

C22H22FNO5S — CID 46022969

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(CN(c2cccc(OC)c2)S(=O)(=O)c2cccc(F)c2)cc(OC)c1
InChIInChI=1S/C22H22FNO5S/c1-27-19-8-5-7-18(13-19)24(30(25,26)22-9-4-6-17(23)12-22)15-16-10-20(28-2)14-21(11-16)29-3/h4-14H,15H2,1-3H3
InChIKeyZUHFSNGITKWPKS-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.25
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide

N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 46022969) has the molecular formula C22H22FNO5S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID46022969
Molecular FormulaC22H22FNO5S
Molecular Weight431.49 g/mol
Exact Mass431.12
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(CN(c2cccc(OC)c2)S(=O)(=O)c2cccc(F)c2)cc(OC)c1
InChIInChI=1S/C22H22FNO5S/c1-27-19-8-5-7-18(13-19)24(30(25,26)22-9-4-6-17(23)12-22)15-16-10-20(28-2)14-21(11-16)29-3/h4-14H,15H2,1-3H3
InChIKeyZUHFSNGITKWPKS-UHFFFAOYSA-N
XLogP4.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 42841956
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
N-[(3-fluorophenyl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 46022383
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299
N-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-(3-bromophenyl)-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 46021891
3-fluoro-N-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023254
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023293
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (CID 46022969) is N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cc(CN(c2cccc(OC)c2)S(=O)(=O)c2cccc(F)c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is ZUHFSNGITKWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO5S/c1-27-19-8-5-7-18(13-19)24(30(25,26)22-9-4-6-17(23)12-22)15-16-10-20(28-2)14-21(11-16)29-3/h4-14H,15H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 431.49 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46022969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).