1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine

C22H29N3O4S2 — CID 3192476

IUPAC1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O4S2/c1-19-7-5-6-14-25(19)31(28,29)22-12-10-21(11-13-22)30(26,27)24-17-15-23(16-18-24)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-18H2,1H3
InChIKeyPJSUJCOCIIMTHZ-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine

1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine (PubChem CID 3192476) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
PubChem CID3192476
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC Name1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
SMILESCC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O4S2/c1-19-7-5-6-14-25(19)31(28,29)22-12-10-21(11-13-22)30(26,27)24-17-15-23(16-18-24)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-18H2,1H3
InChIKeyPJSUJCOCIIMTHZ-UHFFFAOYSA-N
XLogP2.76
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]isoindole-1,3-dione
CID 71654095
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110412122
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(2S)-1-(benzenesulfonyl)-2-methylazetidine
CID 174287686
2,6-dimethyl-1-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine
CID 168513063
N-benzyl-N-methyl-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1168554

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine (CID 3192476) is 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine is CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
The InChIKey is PJSUJCOCIIMTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-19-7-5-6-14-25(19)31(28,29)22-12-10-21(11-13-22)30(26,27)24-17-15-23(16-18-24)20-8-3-2-4-9-20/h2-4,8-13,19H,5-7,14-18H2,1H3.
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine?
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine has a molecular weight of 463.63 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 3192476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).