1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene

C10H16N2O4S — CID 12070806

IUPAC1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccc(CCNS(N)(=O)=O)cc1OC
InChIInChI=1S/C10H16N2O4S/c1-15-9-4-3-8(7-10(9)16-2)5-6-12-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,13,14)
InChIKeyIJTGKNWTGSAYSS-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.04
Rot. Bonds6

About 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene

1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene (PubChem CID 12070806) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene
PubChem CID12070806
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccc(CCNS(N)(=O)=O)cc1OC
InChIInChI=1S/C10H16N2O4S/c1-15-9-4-3-8(7-10(9)16-2)5-6-12-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,13,14)
InChIKeyIJTGKNWTGSAYSS-UHFFFAOYSA-N
XLogP0.04
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Mescaline hydrochloride
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N-Methylhomoveratrylamine
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene (CID 12070806) is 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene is COc1ccc(CCNS(N)(=O)=O)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene?
The InChIKey is IJTGKNWTGSAYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-15-9-4-3-8(7-10(9)16-2)5-6-12-17(11,13)14/h3-4,7,12H,5-6H2,1-2H3,(H2,11,13,14).
What are the key properties of 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene?
1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene has a molecular weight of 260.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[2-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 12070806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).