N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C18H20N2O3S — CID 122145623

IUPACN-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCC(NC(=O)C1Cc2ccccc21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20N2O3S/c1-2-17(13-7-5-8-14(10-13)24(19,22)23)20-18(21)16-11-12-6-3-4-9-15(12)16/h3-10,16-17H,2,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySGKQGLOFUAJVRE-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.24
Rot. Bonds5

About N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 122145623) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID122145623
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCC(NC(=O)C1Cc2ccccc21)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20N2O3S/c1-2-17(13-7-5-8-14(10-13)24(19,22)23)20-18(21)16-11-12-6-3-4-9-15(12)16/h3-10,16-17H,2,11H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeySGKQGLOFUAJVRE-UHFFFAOYSA-N
XLogP2.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 122145623) is N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CCC(NC(=O)C1Cc2ccccc21)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is SGKQGLOFUAJVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-17(13-7-5-8-14(10-13)24(19,22)23)20-18(21)16-11-12-6-3-4-9-15(12)16/h3-10,16-17H,2,11H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 122145623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).