2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C11H10ClN3O3S2 — CID 721139

IUPAC2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H10ClN3O3S2/c12-7-10(16)14-8-1-3-9(4-2-8)20(17,18)15-11-13-5-6-19-11/h1-6H,7H2,(H,13,15)(H,14,16)
InChIKeyNSUHLTKMBRDPDN-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.12
Rot. Bonds5

About 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 721139) has the molecular formula C11H10ClN3O3S2 and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID721139
Molecular FormulaC11H10ClN3O3S2
Molecular Weight331.81 g/mol
Exact Mass330.99
IUPAC Name2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C11H10ClN3O3S2/c12-7-10(16)14-8-1-3-9(4-2-8)20(17,18)15-11-13-5-6-19-11/h1-6H,7H2,(H,13,15)(H,14,16)
InChIKeyNSUHLTKMBRDPDN-UHFFFAOYSA-N
XLogP2.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 721139) is 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(CCl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is NSUHLTKMBRDPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S2/c12-7-10(16)14-8-1-3-9(4-2-8)20(17,18)15-11-13-5-6-19-11/h1-6H,7H2,(H,13,15)(H,14,16).
What are the key properties of 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 331.81 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 721139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).