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

C10H16N2O4S — CID 122179861

IUPAC1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1cccc(OC)c1C(C)NS(N)(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)10-8(15-2)5-4-6-9(10)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
InChIKeyRBVJRDMAESBZSC-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.56
Rot. Bonds5

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

1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene (PubChem CID 122179861) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene
PubChem CID122179861
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1cccc(OC)c1C(C)NS(N)(=O)=O
InChIInChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)10-8(15-2)5-4-6-9(10)16-3/h4-7,12H,1-3H3,(H2,11,13,14)
InChIKeyRBVJRDMAESBZSC-UHFFFAOYSA-N
XLogP0.56
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene (CID 122179861) is 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene is COc1cccc(OC)c1C(C)NS(N)(=O)=O.
What is the InChIKey of 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The InChIKey is RBVJRDMAESBZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)10-8(15-2)5-4-6-9(10)16-3/h4-7,12H,1-3H3,(H2,11,13,14).
What are the key properties of 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene?
1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene has a molecular weight of 260.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-[1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 122179861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).