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

C13H15ClN4O2S2 — CID 133335347

IUPAC3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nc(C2CC2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O2S2/c14-10-2-1-3-11(8-10)22(19,20)16-7-6-15-13-17-12(18-21-13)9-4-5-9/h1-3,8-9,16H,4-7H2,(H,15,17,18)
InChIKeyUUKQSBSABAQDFI-UHFFFAOYSA-N
MW358.88 g/mol
LogP2.46
Rot. Bonds7

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

3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133335347) has the molecular formula C13H15ClN4O2S2 and a molecular weight of 358.88 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
PubChem CID133335347
Molecular FormulaC13H15ClN4O2S2
Molecular Weight358.88 g/mol
Exact Mass358.03
IUPAC Name3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNc1nc(C2CC2)ns1)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O2S2/c14-10-2-1-3-11(8-10)22(19,20)16-7-6-15-13-17-12(18-21-13)9-4-5-9/h1-3,8-9,16H,4-7H2,(H,15,17,18)
InChIKeyUUKQSBSABAQDFI-UHFFFAOYSA-N
XLogP2.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.88
LogP ≤ 52.46
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-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide (CID 133335347) is 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is O=S(=O)(NCCNc1nc(C2CC2)ns1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is UUKQSBSABAQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S2/c14-10-2-1-3-11(8-10)22(19,20)16-7-6-15-13-17-12(18-21-13)9-4-5-9/h1-3,8-9,16H,4-7H2,(H,15,17,18).
What are the key properties of 3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide?
3-chloro-N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 358.88 g/mol, XLogP of 2.46, 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-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133335347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).