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

C13H18N4O2S2 — CID 133335039

IUPACN-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)c1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H18N4O2S2/c1-10(2)12-16-13(20-17-12)14-8-9-15-21(18,19)11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3,(H,14,16,17)
InChIKeyKOGTVHTVQUBYOU-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.05
Rot. Bonds7

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

N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335039) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335039
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)c1nsc(NCCNS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H18N4O2S2/c1-10(2)12-16-13(20-17-12)14-8-9-15-21(18,19)11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3,(H,14,16,17)
InChIKeyKOGTVHTVQUBYOU-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.05
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-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335039) is N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is CC(C)c1nsc(NCCNS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is KOGTVHTVQUBYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-10(2)12-16-13(20-17-12)14-8-9-15-21(18,19)11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3,(H,14,16,17).
What are the key properties of N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).