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

C11H13ClN4O2S2 — CID 71996762

IUPAC3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-15-11(19-16-8)13-5-6-14-20(17,18)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6H2,1H3,(H,13,15,16)
InChIKeyFBMHKAWSJRDSAI-UHFFFAOYSA-N
MW332.84 g/mol
LogP1.89
Rot. Bonds6

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

3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 71996762) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID71996762
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC Name3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C11H13ClN4O2S2/c1-8-15-11(19-16-8)13-5-6-14-20(17,18)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6H2,1H3,(H,13,15,16)
InChIKeyFBMHKAWSJRDSAI-UHFFFAOYSA-N
XLogP1.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 51.89
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-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 71996762) is 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is Cc1nsc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is FBMHKAWSJRDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c1-8-15-11(19-16-8)13-5-6-14-20(17,18)10-4-2-3-9(12)7-10/h2-4,7,14H,5-6H2,1H3,(H,13,15,16).
What are the key properties of 3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 332.84 g/mol, XLogP of 1.89, 6 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-methyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71996762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).