[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone

C18H18ClNO3S — CID 24793277

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H18ClNO3S/c19-16-8-4-6-14(12-16)18(21)15-7-5-11-20(13-15)24(22,23)17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2
InChIKeyNZKMDBLTAQUFBP-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.62
Rot. Bonds4

About [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone

[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone (PubChem CID 24793277) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone
PubChem CID24793277
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H18ClNO3S/c19-16-8-4-6-14(12-16)18(21)15-7-5-11-20(13-15)24(22,23)17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2
InChIKeyNZKMDBLTAQUFBP-UHFFFAOYSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone (CID 24793277) is [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone?
The InChIKey is NZKMDBLTAQUFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-16-8-4-6-14(12-16)18(21)15-7-5-11-20(13-15)24(22,23)17-9-2-1-3-10-17/h1-4,6,8-10,12,15H,5,7,11,13H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone has a molecular weight of 363.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 24793277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).