[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C18H17ClN6O3S — CID 32573936

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClN6O3S/c19-16-6-1-2-7-17(16)29(27,28)24-10-8-23(9-11-24)18(26)14-4-3-5-15(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2
InChIKeyMXOAHUOKJCIKJF-UHFFFAOYSA-N
MW432.89 g/mol
LogP1.46
Rot. Bonds4

About [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 32573936) has the molecular formula C18H17ClN6O3S and a molecular weight of 432.89 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID32573936
Molecular FormulaC18H17ClN6O3S
Molecular Weight432.89 g/mol
Exact Mass432.08
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClN6O3S/c19-16-6-1-2-7-17(16)29(27,28)24-10-8-23(9-11-24)18(26)14-4-3-5-15(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2
InChIKeyMXOAHUOKJCIKJF-UHFFFAOYSA-N
XLogP1.46
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 32573936) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is MXOAHUOKJCIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O3S/c19-16-6-1-2-7-17(16)29(27,28)24-10-8-23(9-11-24)18(26)14-4-3-5-15(12-14)25-13-20-21-22-25/h1-7,12-13H,8-11H2.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 432.89 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 32573936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).