4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide

C9H10N4O2S3 — CID 82898337

IUPAC4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
SMILESCc1nsc(Sc2cc(S(N)(=O)=O)ccc2N)n1
InChIInChI=1S/C9H10N4O2S3/c1-5-12-9(17-13-5)16-8-4-6(18(11,14)15)2-3-7(8)10/h2-4H,10H2,1H3,(H2,11,14,15)
InChIKeyUDHNWECJFOATQY-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.23
Rot. Bonds3

About 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide

4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide (PubChem CID 82898337) has the molecular formula C9H10N4O2S3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
PubChem CID82898337
Molecular FormulaC9H10N4O2S3
Molecular Weight302.41 g/mol
Exact Mass302.00
IUPAC Name4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
SMILESCc1nsc(Sc2cc(S(N)(=O)=O)ccc2N)n1
InChIInChI=1S/C9H10N4O2S3/c1-5-12-9(17-13-5)16-8-4-6(18(11,14)15)2-3-7(8)10/h2-4H,10H2,1H3,(H2,11,14,15)
InChIKeyUDHNWECJFOATQY-UHFFFAOYSA-N
XLogP1.23
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-methylfuran-3-yl)sulfanylbenzenesulfonamide
CID 114000637
5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 103287963
4-amino-3-phenylsulfanylbenzenesulfonamide
CID 82899045
4-amino-3-(1-methylimidazol-2-yl)sulfanylbenzenesulfonamide
CID 70273184
4-amino-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide
CID 82899801
4-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 82899611
4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
CID 82900761
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
4-amino-3-(oxetan-3-ylsulfanyl)benzenesulfonamide
CID 82899958
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133424667

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide (CID 82898337) is 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide is Cc1nsc(Sc2cc(S(N)(=O)=O)ccc2N)n1.
What is the InChIKey of 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The InChIKey is UDHNWECJFOATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S3/c1-5-12-9(17-13-5)16-8-4-6(18(11,14)15)2-3-7(8)10/h2-4H,10H2,1H3,(H2,11,14,15).
What are the key properties of 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide is sourced from PubChem (CID 82898337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).