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

C10H9BrN4O3S2 — CID 71765041

IUPAC2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
InChIInChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(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)
InChIKeyIDIYEHMJGWCWOD-UHFFFAOYSA-N
MW377.25 g/mol
LogP1.13
Rot. Bonds4

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

2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 71765041) has the molecular formula C10H9BrN4O3S2 and a molecular weight of 377.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID71765041
Molecular FormulaC10H9BrN4O3S2
Molecular Weight377.25 g/mol
Exact Mass375.93
IUPAC Name2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
InChIInChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(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)
InChIKeyIDIYEHMJGWCWOD-UHFFFAOYSA-N
XLogP1.13
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 51.13
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
2-Bromo-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017329
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-bromobenzamide
CID 16017560
4-bromo-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16017625
2-bromo-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 22517528
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 155530408
(2S)-2-amino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642237
2-Bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017553
2-Bromo-N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-YL)benzamide
CID 16034541
(2S)-2-amino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18642235

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 71765041) is 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1.
What is the InChIKey of 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IDIYEHMJGWCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(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-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 377.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 71765041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).