N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide

C20H20N2O5S2 — CID 100820532

IUPACN-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C20H20N2O5S2/c1-21-28(23,24)15-9-10-18(27-2)17(12-15)22-29(25,26)19-11-8-14-7-6-13-4-3-5-16(19)20(13)14/h3-5,8-12,21-22H,6-7H2,1-2H3
InChIKeyIPIVRDOWCIYUTN-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.66
Rot. Bonds6

About N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide

N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide (PubChem CID 100820532) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
PubChem CID100820532
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1
InChIInChI=1S/C20H20N2O5S2/c1-21-28(23,24)15-9-10-18(27-2)17(12-15)22-29(25,26)19-11-8-14-7-6-13-4-3-5-16(19)20(13)14/h3-5,8-12,21-22H,6-7H2,1-2H3
InChIKeyIPIVRDOWCIYUTN-UHFFFAOYSA-N
XLogP2.66
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide?
The IUPAC name of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide (CID 100820532) is N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide?
The canonical SMILES for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide is CNS(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)c1.
What is the InChIKey of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide?
The InChIKey is IPIVRDOWCIYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-21-28(23,24)15-9-10-18(27-2)17(12-15)22-29(25,26)19-11-8-14-7-6-13-4-3-5-16(19)20(13)14/h3-5,8-12,21-22H,6-7H2,1-2H3.
What are the key properties of N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide?
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide has a molecular weight of 432.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylsulfamoyl)phenyl]-1,2-dihydroacenaphthylene-5-sulfonamide is sourced from PubChem (CID 100820532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).