N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide

C18H21NO5S — CID 110606554

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H21NO5S/c1-22-16-4-2-3-14(11-16)8-10-25(20,21)19-9-7-15-5-6-17-18(12-15)24-13-23-17/h2-6,11-12,19H,7-10,13H2,1H3
InChIKeySOFOQTRBIFUOOD-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110606554) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110606554
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)NCCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H21NO5S/c1-22-16-4-2-3-14(11-16)8-10-25(20,21)19-9-7-15-5-6-17-18(12-15)24-13-23-17/h2-6,11-12,19H,7-10,13H2,1H3
InChIKeySOFOQTRBIFUOOD-UHFFFAOYSA-N
XLogP2.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 2165894
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408195
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963134
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71781926
5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172871162
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3589166
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide (CID 110606554) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)NCCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is SOFOQTRBIFUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-16-4-2-3-14(11-16)8-10-25(20,21)19-9-7-15-5-6-17-18(12-15)24-13-23-17/h2-6,11-12,19H,7-10,13H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110606554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).