1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

C18H22ClN3O3S — CID 59232278

IUPAC1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cccnc3Cl)CC2)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-14(2)25-15-5-7-16(8-6-15)26(23,24)22-12-10-21(11-13-22)17-4-3-9-20-18(17)19/h3-9,14H,10-13H2,1-2H3
InChIKeyPGIJRDFBXGCIDX-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (PubChem CID 59232278) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
PubChem CID59232278
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cccnc3Cl)CC2)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-14(2)25-15-5-7-16(8-6-15)26(23,24)22-12-10-21(11-13-22)17-4-3-9-20-18(17)19/h3-9,14H,10-13H2,1-2H3
InChIKeyPGIJRDFBXGCIDX-UHFFFAOYSA-N
XLogP3.03
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
1-benzhydryl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 5260685
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 136512660
[3-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]methyl formate
CID 159866796
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113073924
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
N-propan-2-yl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811202
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-[(2-fluorophenyl)methyl]-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113074094
1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 9111511
2-[6-bromo-3-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid
CID 59559554
4-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-propan-2-yloxypyrimidine
CID 42474139

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (CID 59232278) is 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cccnc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The InChIKey is PGIJRDFBXGCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-14(2)25-15-5-7-16(8-6-15)26(23,24)22-12-10-21(11-13-22)17-4-3-9-20-18(17)19/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine has a molecular weight of 395.91 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 59232278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).