4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide

C15H14ClN5O2S — CID 72920855

IUPAC4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccc(Cl)nc3)nn2)cc1
InChIInChI=1S/C15H14ClN5O2S/c16-15-6-3-12(9-18-15)14-10-21(20-19-14)8-7-11-1-4-13(5-2-11)24(17,22)23/h1-6,9-10H,7-8H2,(H2,17,22,23)
InChIKeyRFBWYWWYIPRLMA-UHFFFAOYSA-N
MW363.83 g/mol
LogP1.88
Rot. Bonds5

About 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide

4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 72920855) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide
PubChem CID72920855
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCn2cc(-c3ccc(Cl)nc3)nn2)cc1
InChIInChI=1S/C15H14ClN5O2S/c16-15-6-3-12(9-18-15)14-10-21(20-19-14)8-7-11-1-4-13(5-2-11)24(17,22)23/h1-6,9-10H,7-8H2,(H2,17,22,23)
InChIKeyRFBWYWWYIPRLMA-UHFFFAOYSA-N
XLogP1.88
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide (CID 72920855) is 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCn2cc(-c3ccc(Cl)nc3)nn2)cc1.
What is the InChIKey of 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is RFBWYWWYIPRLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c16-15-6-3-12(9-18-15)14-10-21(20-19-14)8-7-11-1-4-13(5-2-11)24(17,22)23/h1-6,9-10H,7-8H2,(H2,17,22,23).
What are the key properties of 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-chloro-3-pyridinyl)triazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 72920855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).