N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide

C12H16N2O3S — CID 11543564

IUPACN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPFHQSNAQKZORAY-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.33
Rot. Bonds3

About N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide

N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide (PubChem CID 11543564) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide
PubChem CID11543564
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide
SMILESCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyPFHQSNAQKZORAY-UHFFFAOYSA-N
XLogP0.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide?
The IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide (CID 11543564) is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide.
What is the SMILES notation for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide?
The canonical SMILES for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide is CCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1.
What is the InChIKey of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide?
The InChIKey is PFHQSNAQKZORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide?
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)propanamide is sourced from PubChem (CID 11543564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).