1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine

C22H21Cl2N3O2S — CID 56672775

IUPAC1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C22H21Cl2N3O2S/c23-19-5-3-17(4-6-19)22(18-2-1-11-25-16-18)26-12-14-27(15-13-26)30(28,29)21-9-7-20(24)8-10-21/h1-11,16,22H,12-15H2
InChIKeyHYYTWAXYXIPTDN-UHFFFAOYSA-N
MW462.40 g/mol
LogP4.48
Rot. Bonds5

About 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine

1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 56672775) has the molecular formula C22H21Cl2N3O2S and a molecular weight of 462.40 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID56672775
Molecular FormulaC22H21Cl2N3O2S
Molecular Weight462.40 g/mol
Exact Mass461.07
IUPAC Name1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C22H21Cl2N3O2S/c23-19-5-3-17(4-6-19)22(18-2-1-11-25-16-18)26-12-14-27(15-13-26)30(28,29)21-9-7-20(24)8-10-21/h1-11,16,22H,12-15H2
InChIKeyHYYTWAXYXIPTDN-UHFFFAOYSA-N
XLogP4.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
KM11060
CID 1241327
N-(2-chloro-5-phenyl-3-pyridinyl)benzenesulfonamide
CID 25266674
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684
7-Chloro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoline
CID 1284909
4-(5-Chloro-6''-methyl-[2,3'']bipyridinyl-3-yl)-benzenesulfonamide
CID 10269858
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)pyridine-3-sulfonamide
CID 46229898
N-(2-chloro-5-pyridin-3-yl-3-pyridinyl)benzenesulfonamide
CID 87570551

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine (CID 56672775) is 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is HYYTWAXYXIPTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2S/c23-19-5-3-17(4-6-19)22(18-2-1-11-25-16-18)26-12-14-27(15-13-26)30(28,29)21-9-7-20(24)8-10-21/h1-11,16,22H,12-15H2.
What are the key properties of 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine?
1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 462.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 56672775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).