3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide

C12H16N2O4S — CID 107258346

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O4S/c13-12(16)11(15)7-14-19(17,18)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14-15H,1-3,7H2,(H2,13,16)
InChIKeyULEGTXINRTYWLA-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.70
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide (PubChem CID 107258346) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
PubChem CID107258346
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C12H16N2O4S/c13-12(16)11(15)7-14-19(17,18)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14-15H,1-3,7H2,(H2,13,16)
InChIKeyULEGTXINRTYWLA-UHFFFAOYSA-N
XLogP-0.70
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484
methyl 2-chloro-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493556
methyl 2-bromo-3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 103493750
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(2-phenylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001353
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
N-(2-bromo-4-methylpentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 107158218

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide (CID 107258346) is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide is NC(=O)C(O)CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide?
The InChIKey is ULEGTXINRTYWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c13-12(16)11(15)7-14-19(17,18)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,14-15H,1-3,7H2,(H2,13,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide has a molecular weight of 284.34 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide is sourced from PubChem (CID 107258346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).