N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide

C16H19NO5S — CID 90518196

IUPACN-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCOc2ccccc2)cc(OC)c1
InChIInChI=1S/C16H19NO5S/c1-20-15-10-13(11-16(12-15)21-2)17-23(18,19)9-8-22-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyCCGSFBUUWLJKSG-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.52
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide

N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide (PubChem CID 90518196) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
PubChem CID90518196
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCOc2ccccc2)cc(OC)c1
InChIInChI=1S/C16H19NO5S/c1-20-15-10-13(11-16(12-15)21-2)17-23(18,19)9-8-22-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyCCGSFBUUWLJKSG-UHFFFAOYSA-N
XLogP2.52
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
CID 90518275
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide (CID 90518196) is N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide is COc1cc(NS(=O)(=O)CCOc2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide?
The InChIKey is CCGSFBUUWLJKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-20-15-10-13(11-16(12-15)21-2)17-23(18,19)9-8-22-14-6-4-3-5-7-14/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide?
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).