1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene

C11H18N2O5S — CID 71658869

IUPAC1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1cc(CCNS(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C11H18N2O5S/c1-16-9-6-8(4-5-13-19(12,14)15)7-10(17-2)11(9)18-3/h6-7,13H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyXURRVLONLNFQSB-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.05
Rot. Bonds7

About 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene

1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene (PubChem CID 71658869) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
PubChem CID71658869
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1cc(CCNS(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C11H18N2O5S/c1-16-9-6-8(4-5-13-19(12,14)15)7-10(17-2)11(9)18-3/h6-7,13H,4-5H2,1-3H3,(H2,12,14,15)
InChIKeyXURRVLONLNFQSB-UHFFFAOYSA-N
XLogP0.05
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095695
[2-(3,4,5-trimethoxyphenyl)ethylamino]methanethiol
CID 115228320
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
[3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451062
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene (CID 71658869) is 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene is COc1cc(CCNS(N)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene?
The InChIKey is XURRVLONLNFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-16-9-6-8(4-5-13-19(12,14)15)7-10(17-2)11(9)18-3/h6-7,13H,4-5H2,1-3H3,(H2,12,14,15).
What are the key properties of 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene?
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene has a molecular weight of 290.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 71658869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).