2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid

C13H20N2O7S2 — CID 122071580

IUPAC2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
SMILESCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C13H20N2O7S2/c1-3-8-14-23(19,20)10-4-6-11(7-5-10)24(21,22)15-9-13(2,18)12(16)17/h4-7,14-15,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyFWRTXQAGPHFZAN-UHFFFAOYSA-N
MW380.44 g/mol
LogP-0.51
Rot. Bonds9

About 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid

2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 122071580) has the molecular formula C13H20N2O7S2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
PubChem CID122071580
Molecular FormulaC13H20N2O7S2
Molecular Weight380.44 g/mol
Exact Mass380.07
IUPAC Name2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
SMILESCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C13H20N2O7S2/c1-3-8-14-23(19,20)10-4-6-11(7-5-10)24(21,22)15-9-13(2,18)12(16)17/h4-7,14-15,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyFWRTXQAGPHFZAN-UHFFFAOYSA-N
XLogP-0.51
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66171813
2-hydroxy-2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 66174433
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
3-[(4-bromo-3-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071466
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66174031
2-hydroxy-2-methyl-3-[(3-methyl-4-nitrophenyl)sulfonylamino]propanoic acid
CID 122071427
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172413
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
3-[(3-bromo-5-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071519
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173227
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid (CID 122071580) is 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid is CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is FWRTXQAGPHFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O7S2/c1-3-8-14-23(19,20)10-4-6-11(7-5-10)24(21,22)15-9-13(2,18)12(16)17/h4-7,14-15,18H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 380.44 g/mol, XLogP of -0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 122071580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).