[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

C18H17ClN4O3S — CID 7537873

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O3S/c19-13-5-7-14(8-6-13)27(25,26)23-11-9-22(10-12-23)18(24)17-15-3-1-2-4-16(15)20-21-17/h1-8H,9-12H2,(H,20,21)
InChIKeyBGWVNFPLLBBHEU-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.36
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 7537873) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID7537873
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O3S/c19-13-5-7-14(8-6-13)27(25,26)23-11-9-22(10-12-23)18(24)17-15-3-1-2-4-16(15)20-21-17/h1-8H,9-12H2,(H,20,21)
InChIKeyBGWVNFPLLBBHEU-UHFFFAOYSA-N
XLogP2.36
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 7537873) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is BGWVNFPLLBBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-13-5-7-14(8-6-13)27(25,26)23-11-9-22(10-12-23)18(24)17-15-3-1-2-4-16(15)20-21-17/h1-8H,9-12H2,(H,20,21).
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 404.88 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 7537873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).