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

C12H15ClN4O2S2 — CID 133335348

IUPAC3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCCc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H15ClN4O2S2/c1-2-11-16-12(20-17-11)14-6-7-15-21(18,19)10-5-3-4-9(13)8-10/h3-5,8,15H,2,6-7H2,1H3,(H,14,16,17)
InChIKeyMWEVSKSCACNWHT-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.14
Rot. Bonds7

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

3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335348) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335348
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC Name3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCCc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C12H15ClN4O2S2/c1-2-11-16-12(20-17-11)14-6-7-15-21(18,19)10-5-3-4-9(13)8-10/h3-5,8,15H,2,6-7H2,1H3,(H,14,16,17)
InChIKeyMWEVSKSCACNWHT-UHFFFAOYSA-N
XLogP2.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.14
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 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335348) is 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is CCc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is MWEVSKSCACNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c1-2-11-16-12(20-17-11)14-6-7-15-21(18,19)10-5-3-4-9(13)8-10/h3-5,8,15H,2,6-7H2,1H3,(H,14,16,17).
What are the key properties of 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 346.87 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).