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

C11H14N4O2S2 — CID 71926570

IUPACN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H14N4O2S2/c1-9-14-11(18-15-9)12-7-8-13-19(16,17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,12,14,15)
InChIKeyYAOPXSUKSMLXSB-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.24
Rot. Bonds6

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

N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 71926570) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID71926570
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC NameN-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H14N4O2S2/c1-9-14-11(18-15-9)12-7-8-13-19(16,17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,12,14,15)
InChIKeyYAOPXSUKSMLXSB-UHFFFAOYSA-N
XLogP1.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 71926570) is N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is Cc1nsc(NCCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is YAOPXSUKSMLXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-9-14-11(18-15-9)12-7-8-13-19(16,17)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,12,14,15).
What are the key properties of N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71926570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).