1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene

C18H24N2O6S — CID 137451137

IUPAC1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1NS(N)(=O)=O
InChIInChI=1S/C18H24N2O6S/c1-23-15-8-7-12(9-14(15)20-27(19,21)22)5-6-13-10-16(24-2)18(26-4)17(11-13)25-3/h7-11,20H,5-6H2,1-4H3,(H2,19,21,22)
InChIKeyYJBIZBPPJHRLJA-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.12
Rot. Bonds9

About 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene

1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene (PubChem CID 137451137) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene
PubChem CID137451137
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1NS(N)(=O)=O
InChIInChI=1S/C18H24N2O6S/c1-23-15-8-7-12(9-14(15)20-27(19,21)22)5-6-13-10-16(24-2)18(26-4)17(11-13)25-3/h7-11,20H,5-6H2,1-4H3,(H2,19,21,22)
InChIKeyYJBIZBPPJHRLJA-UHFFFAOYSA-N
XLogP2.12
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene (CID 137451137) is 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene is COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1NS(N)(=O)=O.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene?
The InChIKey is YJBIZBPPJHRLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-23-15-8-7-12(9-14(15)20-27(19,21)22)5-6-13-10-16(24-2)18(26-4)17(11-13)25-3/h7-11,20H,5-6H2,1-4H3,(H2,19,21,22).
What are the key properties of 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene?
1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene has a molecular weight of 396.47 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-[4-methoxy-3-(sulfamoylamino)phenyl]ethyl]benzene is sourced from PubChem (CID 137451137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).