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

C10H15N3O4S — CID 67154285

IUPAC(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
SMILESNc1ccc(S(=O)(=O)NCC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H15N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-6-5-9(12)10(14)15/h1-4,9,13H,5-6,11-12H2,(H,14,15)/t9-/m0/s1
InChIKeyVWXCZRSKUFIIKZ-VIFPVBQESA-N
MW273.31 g/mol
LogP-0.65
Rot. Bonds6

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

(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid (PubChem CID 67154285) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
PubChem CID67154285
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
SMILESNc1ccc(S(=O)(=O)NCC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H15N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-6-5-9(12)10(14)15/h1-4,9,13H,5-6,11-12H2,(H,14,15)/t9-/m0/s1
InChIKeyVWXCZRSKUFIIKZ-VIFPVBQESA-N
XLogP-0.65
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.65
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-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-aminobenzenesulfonic acid;(2R)-2,6-diaminohexanoic acid
CID 88844713
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
2-[2-[2-[2-[2-[(4-aminophenyl)sulfonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 155168943
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
2-amino-4-[[3-[(3-amino-3-carboxypropyl)sulfamoyl]-6,8-dihydroxypyren-1-yl]sulfonylamino]butanoic acid
CID 86712489
(2S)-4-(benzenesulfonamido)-2-bromobutanoic acid
CID 131850599
4-amino-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide chloride
CID 70585913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid (CID 67154285) is (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid is Nc1ccc(S(=O)(=O)NCC[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid?
The InChIKey is VWXCZRSKUFIIKZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-6-5-9(12)10(14)15/h1-4,9,13H,5-6,11-12H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid?
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid has a molecular weight of 273.31 g/mol, XLogP of -0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 67154285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).