4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C9H10N4O2S2 — CID 5328

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IUPAC4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyVACCAVUAMIDAGB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 5328) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID5328
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKeyVACCAVUAMIDAGB-UHFFFAOYSA-N
XLogP1.23
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfaethidole
CID 7181
1,3,4-Thiadiazole-2-sulfonamide, 5-(((4-aminophenyl)sulfonyl)amino)-
CID 134560
2-Sulfanilamido-1,3,4-thiadiazole
CID 234762
Glybuthiazol
CID 10811
Glyprothiazol
CID 66458
5-(4-Amino-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10874216
5-(4-Amino-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 10937101
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162129
4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 2175392
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2289519
N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162125

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 5328) is 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.
What is the InChIKey of 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is VACCAVUAMIDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).