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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Related Compounds

6-Chloro-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 46977064
(1-{1-[1-(3-chloropyridin-2-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}-1-methylethyl)amine
CID 46985168
N'-(3,5-dichloro-2-pyridinyl)-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 71974562
3-chloro-N-[(3-ethyltriazol-4-yl)methyl]pyridin-2-amine
CID 132362650
N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonamide
CID 25095932
1-[3-[4-(2-Fluoroethyl)triazol-1-yl]propyl]-4-pyridin-2-ylpiperazine
CID 71293997
1-[[1-(2-Fluoroethyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
CID 71294146
1-[2-[1-(2-Fluoroethyl)triazol-4-yl]ethyl]-4-pyridin-2-ylpiperazine
CID 71294228
1-[[1-(3-Fluoropropyl)triazol-4-yl]methyl]-4-pyridin-2-ylpiperazine
CID 71294259
N-[6-[4-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]propane-2-sulfonamide
CID 118166898
N-(2H-triazol-4-ylmethyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfinamide
CID 145523712
5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
CID 79727232

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).