2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide

C8H9ClFN3O3S — CID 43257089

IUPAC2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C8H9ClFN3O3S/c9-5-1-4(11)2-6(8(5)10)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyZBXALCCZWROYHD-UHFFFAOYSA-N
MW281.70 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide

2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide (PubChem CID 43257089) has the molecular formula C8H9ClFN3O3S and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide
PubChem CID43257089
Molecular FormulaC8H9ClFN3O3S
Molecular Weight281.70 g/mol
Exact Mass281.00
IUPAC Name2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C8H9ClFN3O3S/c9-5-1-4(11)2-6(8(5)10)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14)
InChIKeyZBXALCCZWROYHD-UHFFFAOYSA-N
XLogP-0.18
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide (CID 43257089) is 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is ZBXALCCZWROYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O3S/c9-5-1-4(11)2-6(8(5)10)17(15,16)13-3-7(12)14/h1-2,13H,3,11H2,(H2,12,14).
What are the key properties of 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide?
2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 281.70 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-chloro-2-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43257089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).