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

C9H10N4O2S2 — CID 114911645

IUPAC3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnns2)cc1N
InChIInChI=1S/C9H10N4O2S2/c1-6-2-3-7(4-8(6)10)17(14,15)12-9-5-11-13-16-9/h2-5,12H,10H2,1H3
InChIKeyPUEGDLSBVDYNEA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.23
Rot. Bonds3

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

3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114911645) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114911645
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC Name3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnns2)cc1N
InChIInChI=1S/C9H10N4O2S2/c1-6-2-3-7(4-8(6)10)17(14,15)12-9-5-11-13-16-9/h2-5,12H,10H2,1H3
InChIKeyPUEGDLSBVDYNEA-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

5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911701
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
CID 65491849
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 107652863
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
CID 43124457

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114911645) is 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnns2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is PUEGDLSBVDYNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-6-2-3-7(4-8(6)10)17(14,15)12-9-5-11-13-16-9/h2-5,12H,10H2,1H3.
What are the key properties of 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
3-amino-4-methyl-N-(thiadiazol-5-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 3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).