2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide

C21H21NO5S — CID 3770079

IUPAC2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C21H21NO5S/c1-25-18-11-12-20(26-2)21(14-18)28(23,24)22-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3
InChIKeyGWMNEIHGMPCJIJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.08
Rot. Bonds8

About 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide

2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3770079) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3770079
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC Name2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C21H21NO5S/c1-25-18-11-12-20(26-2)21(14-18)28(23,24)22-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3
InChIKeyGWMNEIHGMPCJIJ-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-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
(3-phenylmethoxyphenyl)sulfamic acid
CID 10193116
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide (CID 3770079) is 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is GWMNEIHGMPCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-25-18-11-12-20(26-2)21(14-18)28(23,24)22-17-9-6-10-19(13-17)27-15-16-7-4-3-5-8-16/h3-14,22H,15H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
2,5-dimethoxy-N-(3-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-(3-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3770079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).