3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole

C17H17ClN4O2S — CID 11740294

IUPAC3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2ccc(N3CCNCC3)c(Cl)c12
InChIInChI=1S/C17H17ClN4O2S/c18-16-14(22-10-8-19-9-11-22)7-6-13-15(16)17(21-20-13)25(23,24)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,20,21)
InChIKeyLRPMAVBLJYEWEJ-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.46
Rot. Bonds3

About 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole

3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole (PubChem CID 11740294) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole
PubChem CID11740294
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole
SMILESO=S(=O)(c1ccccc1)c1[nH]nc2ccc(N3CCNCC3)c(Cl)c12
InChIInChI=1S/C17H17ClN4O2S/c18-16-14(22-10-8-19-9-11-22)7-6-13-15(16)17(21-20-13)25(23,24)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,20,21)
InChIKeyLRPMAVBLJYEWEJ-UHFFFAOYSA-N
XLogP2.46
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1-(2-chlorophenyl)piperazine
CID 162116490
3-(benzenesulfonyl)-7-piperidin-1-yl-2H-indazole
CID 24752182
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-[3-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]piperazine
CID 150306260
3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 10383646
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-oxo-5-piperazin-1-yl-2H-cinnoline-4-carboxylic acid
CID 54302824
3-(benzenesulfonyl)-2H-indazole
CID 22250312
2-(benzenesulfonyl)-3-piperazin-1-yl-1H-indole
CID 66917393
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole?
The IUPAC name of 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole (CID 11740294) is 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole?
The canonical SMILES for 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole is O=S(=O)(c1ccccc1)c1[nH]nc2ccc(N3CCNCC3)c(Cl)c12.
What is the InChIKey of 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole?
The InChIKey is LRPMAVBLJYEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c18-16-14(22-10-8-19-9-11-22)7-6-13-15(16)17(21-20-13)25(23,24)12-4-2-1-3-5-12/h1-7,19H,8-11H2,(H,20,21).
What are the key properties of 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole?
3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole has a molecular weight of 376.87 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-chloro-5-piperazin-1-yl-2H-indazole is sourced from PubChem (CID 11740294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).