4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide

C12H16ClN7O2S — CID 25119886

IUPAC4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN7O2S/c13-10-1-2-12(14-7-10)19-3-5-20(6-4-19)23(21,22)16-9-11-8-15-18-17-11/h1-2,7-8,16H,3-6,9H2,(H,15,17,18)
InChIKeyLOGUZDFWFYQHOM-UHFFFAOYSA-N
MW357.83 g/mol
LogP0.01
Rot. Bonds5

About 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide

4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide (PubChem CID 25119886) has the molecular formula C12H16ClN7O2S and a molecular weight of 357.83 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide
PubChem CID25119886
Molecular FormulaC12H16ClN7O2S
Molecular Weight357.83 g/mol
Exact Mass357.08
IUPAC Name4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H16ClN7O2S/c13-10-1-2-12(14-7-10)19-3-5-20(6-4-19)23(21,22)16-9-11-8-15-18-17-11/h1-2,7-8,16H,3-6,9H2,(H,15,17,18)
InChIKeyLOGUZDFWFYQHOM-UHFFFAOYSA-N
XLogP0.01
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide (CID 25119886) is 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide is O=S(=O)(NCc1cn[nH]n1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is LOGUZDFWFYQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7O2S/c13-10-1-2-12(14-7-10)19-3-5-20(6-4-19)23(21,22)16-9-11-8-15-18-17-11/h1-2,7-8,16H,3-6,9H2,(H,15,17,18).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide?
4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 357.83 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 25119886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).