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

C12H16N4O2S2 — CID 10811

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IUPAC4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)
InChIKeyDVQVBLBKEXITIK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds3

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

4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 10811) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID10811
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16)
InChIKeyDVQVBLBKEXITIK-UHFFFAOYSA-N
XLogP2.22
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
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

Sulfamethizole
CID 5328
Sulfaethidole
CID 7181
1,3,4-Thiadiazole-2-sulfonamide, 5-(((4-aminophenyl)sulfonyl)amino)-
CID 134560
2-Sulfanilamido-1,3,4-thiadiazole
CID 234762
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
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
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 10811) is 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.
What is the InChIKey of 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is DVQVBLBKEXITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2,3)10-14-15-11(19-10)16-20(17,18)9-6-4-8(13)5-7-9/h4-7H,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.22, 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-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).