2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C10H9ClN4O3S2 — CID 71765040

IUPAC2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
InChIKeyIFRBJROFIFHRBI-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.02
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71765040) has the molecular formula C10H9ClN4O3S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71765040
Molecular FormulaC10H9ClN4O3S2
Molecular Weight332.79 g/mol
Exact Mass331.98
IUPAC Name2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
InChIKeyIFRBJROFIFHRBI-UHFFFAOYSA-N
XLogP1.02
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

Sulfonamide deriv., 8
CID 44520906
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71764827
4-chloro-3-sulfamoyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 10069411
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)-2-methylbenzamide
CID 16023055
2-chloro-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16017621
4-chloro-N-(5-piperidinosulfonyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16017551
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-4-chlorobenzamide
CID 16017552
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)-4-methylbenzamide
CID 16023037
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 903149
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)propanamide
CID 16023059
N-(5-{[(4-Chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)pentanamide
CID 16023063

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71765040) is 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IFRBJROFIFHRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16).
What are the key properties of 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 332.79 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71765040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).