4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid

C11H19N3O4S — CID 66808736

IUPAC4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C5H11NO2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(6)5(7)8/h1-4H,7H2,(H2,8,9,10);3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyOSUMZCHHIRIEKW-VWMHFEHESA-N
MW289.36 g/mol
LogP-0.03
Rot. Bonds3

About 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid

4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid (PubChem CID 66808736) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
PubChem CID66808736
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C5H11NO2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(6)5(7)8/h1-4H,7H2,(H2,8,9,10);3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1
InChIKeyOSUMZCHHIRIEKW-VWMHFEHESA-N
XLogP-0.03
TPSA149.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
acetamide;4-aminobenzenesulfonamide
CID 175093651
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
CID 159358457
CID 159358457
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;benzenesulfonic acid
CID 162223719
4-aminobenzenesulfonamide;fluoroform
CID 121362415
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-methylbutanoic acid;benzene;sulfuryl dichloride
CID 158924541

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid?
The IUPAC name of 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid (CID 66808736) is 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid.
What is the SMILES notation for 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid?
The canonical SMILES for 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid?
The InChIKey is OSUMZCHHIRIEKW-VWMHFEHESA-N. The full InChI is InChI=1S/C6H8N2O2S.C5H11NO2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(6)5(7)8/h1-4H,7H2,(H2,8,9,10);3-4H,6H2,1-2H3,(H,7,8)/t;4-/m.0/s1.
What are the key properties of 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid?
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid has a molecular weight of 289.36 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid is sourced from PubChem (CID 66808736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).