4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide

C10H12N4O2S3 — CID 82901187

IUPAC4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(Sc2nncs2)c1
InChIInChI=1S/C10H12N4O2S3/c1-2-13-19(15,16)7-3-4-8(11)9(5-7)18-10-14-12-6-17-10/h3-6,13H,2,11H2,1H3
InChIKeyYCONPZFHPFIBLS-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.57
Rot. Bonds5

About 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide

4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide (PubChem CID 82901187) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide
PubChem CID82901187
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(Sc2nncs2)c1
InChIInChI=1S/C10H12N4O2S3/c1-2-13-19(15,16)7-3-4-8(11)9(5-7)18-10-14-12-6-17-10/h3-6,13H,2,11H2,1H3
InChIKeyYCONPZFHPFIBLS-UHFFFAOYSA-N
XLogP1.57
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.57
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-N-ethyl-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 82902671
4-amino-N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylbenzenesulfonamide
CID 82902678
4-amino-N-ethyl-3-(4-fluorophenyl)sulfanylbenzenesulfonamide
CID 82901758
4-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylbenzenesulfonamide
CID 82902204
4-amino-N-ethyl-3-(3-hydroxypropylsulfanyl)benzenesulfonamide
CID 82901626
4-amino-N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106379435
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-N-ethyl-3-(3-hydroxy-2-methylpropyl)sulfanylbenzenesulfonamide
CID 82901263
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide (CID 82901187) is 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(Sc2nncs2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide?
The InChIKey is YCONPZFHPFIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-2-13-19(15,16)7-3-4-8(11)9(5-7)18-10-14-12-6-17-10/h3-6,13H,2,11H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide?
4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 82901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).