2-[(4-aminophenyl)sulfonylamino]butanoic acid

C10H14N2O4S — CID 71945727

IUPAC2-[(4-aminophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-9(10(13)14)12-17(15,16)8-5-3-7(11)4-6-8/h3-6,9,12H,2,11H2,1H3,(H,13,14)
InChIKeyNNXYSPBNGPWHPT-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.41
Rot. Bonds5

About 2-[(4-aminophenyl)sulfonylamino]butanoic acid

2-[(4-aminophenyl)sulfonylamino]butanoic acid (PubChem CID 71945727) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonylamino]butanoic acid
PubChem CID71945727
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[(4-aminophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-9(10(13)14)12-17(15,16)8-5-3-7(11)4-6-8/h3-6,9,12H,2,11H2,1H3,(H,13,14)
InChIKeyNNXYSPBNGPWHPT-UHFFFAOYSA-N
XLogP0.41
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-[[4-(acetamidomethyl)phenyl]sulfonylamino]butanoic acid
CID 43386785
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
4-amino-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 104600082
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(4-aminophenyl)sulfonylamino]butanoic acid (CID 71945727) is 2-[(4-aminophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(4-aminophenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-[(4-aminophenyl)sulfonylamino]butanoic acid?
The InChIKey is NNXYSPBNGPWHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-9(10(13)14)12-17(15,16)8-5-3-7(11)4-6-8/h3-6,9,12H,2,11H2,1H3,(H,13,14).
What are the key properties of 2-[(4-aminophenyl)sulfonylamino]butanoic acid?
2-[(4-aminophenyl)sulfonylamino]butanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 71945727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).