2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide

C21H21NO5S — CID 2208419

IUPAC2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO5S/c1-25-19-12-13-20(26-2)21(14-19)28(23,24)22-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14,22H,15H2,1-2H3
InChIKeyVBYNASQQALFWFQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.08
Rot. Bonds8

About 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide

2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 2208419) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID2208419
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC Name2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO5S/c1-25-19-12-13-20(26-2)21(14-19)28(23,24)22-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14,22H,15H2,1-2H3
InChIKeyVBYNASQQALFWFQ-UHFFFAOYSA-N
XLogP4.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
2-[benzyl(methyl)amino]-5-[(2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 50766622
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide (CID 2208419) is 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is VBYNASQQALFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-25-19-12-13-20(26-2)21(14-19)28(23,24)22-17-8-10-18(11-9-17)27-15-16-6-4-3-5-7-16/h3-14,22H,15H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide?
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2208419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).