1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene

C9H14N2O3S — CID 112684088

IUPAC1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccccc1C(C)NS(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
InChIKeyQJHWFMNMXCDMAQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.55
Rot. Bonds4

About 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene

1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene (PubChem CID 112684088) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
PubChem CID112684088
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccccc1C(C)NS(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)
InChIKeyQJHWFMNMXCDMAQ-UHFFFAOYSA-N
XLogP0.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene (CID 112684088) is 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene is COc1ccccc1C(C)NS(N)(=O)=O.
What is the InChIKey of 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The InChIKey is QJHWFMNMXCDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13).
What are the key properties of 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene has a molecular weight of 230.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 112684088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).