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

C13H18N2O3S — CID 11536481

IUPACN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide
SMILESCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZTRWXFFYFBYLJU-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.72
Rot. Bonds4

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

N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide (PubChem CID 11536481) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide
PubChem CID11536481
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide
SMILESCCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1
InChIInChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZTRWXFFYFBYLJU-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9953
CID 9953
CID 11414131
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CID 11680415
CID 11680415
CID 23653514
CID 23653514
CID 11537386
CID 11537386
CID 11623958
CID 11623958
CID 11660633
CID 11660633
CID 11529486
CID 11529486
CID 11543564
CID 11543564
CID 11638641
CID 11638641
CID 11659798
CID 11659798

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide?
The IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide (CID 11536481) is N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide.
What is the SMILES notation for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide?
The canonical SMILES for N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide is CCCC(=O)NC1Cc2ccc(S(N)(=O)=O)cc2C1.
What is the InChIKey of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide?
The InChIKey is ZTRWXFFYFBYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide?
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)butanamide has a molecular weight of 282.37 g/mol, XLogP of 0.72, 4 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)butanamide is sourced from PubChem (CID 11536481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).