2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid

C11H11N3O4S2 — CID 102196664

IUPAC2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid
SMILESNc1ccc(S(=O)(=O)Nc2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKeyNYMIDEKPLFFDQW-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.15
Rot. Bonds5

About 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid

2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 102196664) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid
PubChem CID102196664
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC Name2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid
SMILESNc1ccc(S(=O)(=O)Nc2ncc(CC(=O)O)s2)cc1
InChIInChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16)
InChIKeyNYMIDEKPLFFDQW-UHFFFAOYSA-N
XLogP1.15
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid (CID 102196664) is 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid is Nc1ccc(S(=O)(=O)Nc2ncc(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is NYMIDEKPLFFDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-6-8(19-11)5-10(15)16/h1-4,6H,5,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid?
2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 313.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 102196664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).