4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide

C9H10N4O2S3 — CID 82900761

IUPAC4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Sc2ncns2)c1
InChIInChI=1S/C9H10N4O2S3/c1-11-18(14,15)6-2-3-7(10)8(4-6)16-9-12-5-13-17-9/h2-5,11H,10H2,1H3
InChIKeyNCVMBRLDUQQQES-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.18
Rot. Bonds4

About 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide

4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide (PubChem CID 82900761) has the molecular formula C9H10N4O2S3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
PubChem CID82900761
Molecular FormulaC9H10N4O2S3
Molecular Weight302.41 g/mol
Exact Mass302.00
IUPAC Name4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(Sc2ncns2)c1
InChIInChI=1S/C9H10N4O2S3/c1-11-18(14,15)6-2-3-7(10)8(4-6)16-9-12-5-13-17-9/h2-5,11H,10H2,1H3
InChIKeyNCVMBRLDUQQQES-UHFFFAOYSA-N
XLogP1.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide (CID 82900761) is 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(Sc2ncns2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide?
The InChIKey is NCVMBRLDUQQQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S3/c1-11-18(14,15)6-2-3-7(10)8(4-6)16-9-12-5-13-17-9/h2-5,11H,10H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide?
4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 82900761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).