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

C10H12N4O2S3 — CID 103287963

IUPAC5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Sc1nc(C)ns1
InChIInChI=1S/C10H12N4O2S3/c1-6-13-10(18-14-6)17-8-4-3-7(11)5-9(8)19(15,16)12-2/h3-5,12H,11H2,1-2H3
InChIKeyCVDVELCSHFKFTO-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.49
Rot. Bonds4

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

5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide (PubChem CID 103287963) has the molecular formula C10H12N4O2S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
PubChem CID103287963
Molecular FormulaC10H12N4O2S3
Molecular Weight316.43 g/mol
Exact Mass316.01
IUPAC Name5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Sc1nc(C)ns1
InChIInChI=1S/C10H12N4O2S3/c1-6-13-10(18-14-6)17-8-4-3-7(11)5-9(8)19(15,16)12-2/h3-5,12H,11H2,1-2H3
InChIKeyCVDVELCSHFKFTO-UHFFFAOYSA-N
XLogP1.49
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.49
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

5-amino-N-methyl-2-(2-methylphenyl)sulfanylbenzenesulfonamide
CID 103287918
5-amino-2-(3-hydroxypropylsulfanyl)-N-methylbenzenesulfonamide
CID 103287957
5-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106036210
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
CID 106948847
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 112648834
1-[5-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]propan-2-amine
CID 114866477
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941
4-bromo-5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 116736865
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133424667

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide (CID 103287963) is 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Sc1nc(C)ns1.
What is the InChIKey of 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
The InChIKey is CVDVELCSHFKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S3/c1-6-13-10(18-14-6)17-8-4-3-7(11)5-9(8)19(15,16)12-2/h3-5,12H,11H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide?
5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide is sourced from PubChem (CID 103287963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).