3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

C16H19NO4S — CID 740562

IUPAC3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyYQBJRUNQEJLDMV-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds7

About 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide

3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 740562) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID740562
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3
InChIKeyYQBJRUNQEJLDMV-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzene-1-sulfonamide
CID 583390
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
Acetamide, 2-[(3,4-dimethoxybenzenesulfonyl)(methyl)amino]-N-phenethyl-
CID 3511426
2-[(3,4-Dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 667700
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
N-hexyl-3,4-dimethoxybenzenesulfonamide
CID 3243273
(E)-1-(4-methoxyphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193005

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide (CID 740562) is 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is YQBJRUNQEJLDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-15-9-8-14(12-16(15)21-2)22(18,19)17-11-10-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 740562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).