3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide

C11H16N2O4S — CID 106169276

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(N)=O)cc1C
InChIInChI=1S/C11H16N2O4S/c1-7-3-4-9(5-8(7)2)18(16,17)13-6-10(14)11(12)15/h3-5,10,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyLHNQXXBOJNJHIE-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.57
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide (PubChem CID 106169276) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
PubChem CID106169276
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
SMILESCc1ccc(S(=O)(=O)NCC(O)C(N)=O)cc1C
InChIInChI=1S/C11H16N2O4S/c1-7-3-4-9(5-8(7)2)18(16,17)13-6-10(14)11(12)15/h3-5,10,13-14H,6H2,1-2H3,(H2,12,15)
InChIKeyLHNQXXBOJNJHIE-UHFFFAOYSA-N
XLogP-0.57
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 103493569
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 106168272
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
3-[(4-amino-2,6-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165069
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110279875
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide (CID 106169276) is 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide is Cc1ccc(S(=O)(=O)NCC(O)C(N)=O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
The InChIKey is LHNQXXBOJNJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-3-4-9(5-8(7)2)18(16,17)13-6-10(14)11(12)15/h3-5,10,13-14H,6H2,1-2H3,(H2,12,15).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide has a molecular weight of 272.33 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106169276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).