1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine

C19H18ClN3O3S — CID 90560524

IUPAC1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C19H18ClN3O3S/c20-15-5-3-6-17(12-15)27(24,25)23-10-8-16(9-11-23)26-19-18-7-2-1-4-14(18)13-21-22-19/h1-7,12-13,16H,8-11H2
InChIKeyVJAKMEUIPLJTFV-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.52
Rot. Bonds4

About 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine

1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine (PubChem CID 90560524) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
PubChem CID90560524
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C19H18ClN3O3S/c20-15-5-3-6-17(12-15)27(24,25)23-10-8-16(9-11-23)26-19-18-7-2-1-4-14(18)13-21-22-19/h1-7,12-13,16H,8-11H2
InChIKeyVJAKMEUIPLJTFV-UHFFFAOYSA-N
XLogP3.52
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
CID 90560503
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
CID 90560452
4-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)sulfonylpiperidine
CID 110358899
[5-chloro-2-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]amino]phenyl]methanol
CID 71068252

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine (CID 90560524) is 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine is O=S(=O)(c1cccc(Cl)c1)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine?
The InChIKey is VJAKMEUIPLJTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-15-5-3-6-17(12-15)27(24,25)23-10-8-16(9-11-23)26-19-18-7-2-1-4-14(18)13-21-22-19/h1-7,12-13,16H,8-11H2.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine?
1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine has a molecular weight of 403.89 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine is sourced from PubChem (CID 90560524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).