N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide

C9H10N4O2S2 — CID 651962

IUPACN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nsc(N)n2)cc1
InChIInChI=1S/C9H10N4O2S2/c1-6-2-4-7(5-3-6)17(14,15)13-9-11-8(10)16-12-9/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyUBMNEXQQVNBMEU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.23
Rot. Bonds3

About N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide

N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 651962) has the molecular formula C9H10N4O2S2 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide
PubChem CID651962
Molecular FormulaC9H10N4O2S2
Molecular Weight270.34 g/mol
Exact Mass270.02
IUPAC NameN-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nsc(N)n2)cc1
InChIInChI=1S/C9H10N4O2S2/c1-6-2-4-7(5-3-6)17(14,15)13-9-11-8(10)16-12-9/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyUBMNEXQQVNBMEU-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide (CID 651962) is N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nsc(N)n2)cc1.
What is the InChIKey of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is UBMNEXQQVNBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S2/c1-6-2-4-7(5-3-6)17(14,15)13-9-11-8(10)16-12-9/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide?
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide 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 N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 651962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).