2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

C17H24ClN3O3S — CID 8757980

IUPAC2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C17H24ClN3O3S/c18-15-5-4-6-16(13-15)25(23,24)21-11-9-19(10-12-21)14-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12,14H2
InChIKeyRZZXZZCSZWQMMB-UHFFFAOYSA-N
MW385.92 g/mol
LogP1.66
Rot. Bonds4

About 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 8757980) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID8757980
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCCC1
InChIInChI=1S/C17H24ClN3O3S/c18-15-5-4-6-16(13-15)25(23,24)21-11-9-19(10-12-21)14-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12,14H2
InChIKeyRZZXZZCSZWQMMB-UHFFFAOYSA-N
XLogP1.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 8757980) is 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is RZZXZZCSZWQMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c18-15-5-4-6-16(13-15)25(23,24)21-11-9-19(10-12-21)14-17(22)20-7-2-1-3-8-20/h4-6,13H,1-3,7-12,14H2.
What are the key properties of 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 385.92 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 8757980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).