N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid

C14H18N4O5S — CID 19831477

IUPACN-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c(N)c1.Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C8H10N2O2.C6H8N2O3S/c9-6-2-1-3-7(4-6)10-8(12)5-11;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-4,11H,5,9H2,(H,10,12);1-3H,7-8H2,(H,9,10,11)
InChIKeyXOBZDFPGEQRQMX-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.30
Rot. Bonds3

About N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid

N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid (PubChem CID 19831477) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid
PubChem CID19831477
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC NameN-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c(N)c1.Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C8H10N2O2.C6H8N2O3S/c9-6-2-1-3-7(4-6)10-8(12)5-11;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-4,11H,5,9H2,(H,10,12);1-3H,7-8H2,(H,9,10,11)
InChIKeyXOBZDFPGEQRQMX-UHFFFAOYSA-N
XLogP0.30
TPSA181.76 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 50.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-3-(2-methylsulfonylethylsulfonyl)propanamide
CID 63658124
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
CID 175222790
CID 175222790
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-aminophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 61424662
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80744377
N-[3-(1,1-difluoroethyl)phenyl]-2-hydroxyacetamide
CID 126784306
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid?
The IUPAC name of N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid (CID 19831477) is N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid.
What is the SMILES notation for N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid?
The canonical SMILES for N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid is Nc1ccc(S(=O)(=O)O)c(N)c1.Nc1cccc(NC(=O)CO)c1.
What is the InChIKey of N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid?
The InChIKey is XOBZDFPGEQRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C6H8N2O3S/c9-6-2-1-3-7(4-6)10-8(12)5-11;7-4-1-2-6(5(8)3-4)12(9,10)11/h1-4,11H,5,9H2,(H,10,12);1-3H,7-8H2,(H,9,10,11).
What are the key properties of N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid?
N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid has a molecular weight of 354.39 g/mol, XLogP of 0.30, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-hydroxyacetamide;2,4-diaminobenzenesulfonic acid is sourced from PubChem (CID 19831477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).