(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid

C23H20N4O4S — CID 10551440

IUPAC(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H20N4O4S/c28-23(29)22(14-16-15-24-21-9-5-4-8-20(16)21)27-32(30,31)19-12-10-18(11-13-19)26-25-17-6-2-1-3-7-17/h1-13,15,22,24,27H,14H2,(H,28,29)/b26-25+/t22-/m1/s1
InChIKeyDORIMXJPMPAGRK-VQAHOFKPSA-N
MW448.50 g/mol
LogP4.56
Rot. Bonds8

About (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid

(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid (PubChem CID 10551440) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid
PubChem CID10551440
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H20N4O4S/c28-23(29)22(14-16-15-24-21-9-5-4-8-20(16)21)27-32(30,31)19-12-10-18(11-13-19)26-25-17-6-2-1-3-7-17/h1-13,15,22,24,27H,14H2,(H,28,29)/b26-25+/t22-/m1/s1
InChIKeyDORIMXJPMPAGRK-VQAHOFKPSA-N
XLogP4.56
TPSA123.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid (CID 10551440) is (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid is O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid?
The InChIKey is DORIMXJPMPAGRK-VQAHOFKPSA-N. The full InChI is InChI=1S/C23H20N4O4S/c28-23(29)22(14-16-15-24-21-9-5-4-8-20(16)21)27-32(30,31)19-12-10-18(11-13-19)26-25-17-6-2-1-3-7-17/h1-13,15,22,24,27H,14H2,(H,28,29)/b26-25+/t22-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid?
(2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid has a molecular weight of 448.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-[(4-phenyldiazenylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 10551440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).