1-benzoylpiperidine-3-sulfonyl chloride

C12H14ClNO3S — CID 75480400

IUPAC1-benzoylpiperidine-3-sulfonyl chloride
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C12H14ClNO3S/c13-18(16,17)11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyXGJLQARAHNNNOJ-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.86
Rot. Bonds2

About 1-benzoylpiperidine-3-sulfonyl chloride

1-benzoylpiperidine-3-sulfonyl chloride (PubChem CID 75480400) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-benzoylpiperidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-benzoylpiperidine-3-sulfonyl chloride
PubChem CID75480400
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC Name1-benzoylpiperidine-3-sulfonyl chloride
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C12H14ClNO3S/c13-18(16,17)11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKeyXGJLQARAHNNNOJ-UHFFFAOYSA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
benzyl (3R)-3-chlorosulfonylpiperidine-1-carboxylate
CID 98124423
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
1-benzoyl-N-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-3-sulfonamide
CID 75474606
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
(2R,3R)-1-(1-benzoylazetidin-3-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105008

Frequently Asked Questions

What is the IUPAC name of 1-benzoylpiperidine-3-sulfonyl chloride?
The IUPAC name of 1-benzoylpiperidine-3-sulfonyl chloride (CID 75480400) is 1-benzoylpiperidine-3-sulfonyl chloride.
What is the SMILES notation for 1-benzoylpiperidine-3-sulfonyl chloride?
The canonical SMILES for 1-benzoylpiperidine-3-sulfonyl chloride is O=C(c1ccccc1)N1CCCC(S(=O)(=O)Cl)C1.
What is the InChIKey of 1-benzoylpiperidine-3-sulfonyl chloride?
The InChIKey is XGJLQARAHNNNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c13-18(16,17)11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 1-benzoylpiperidine-3-sulfonyl chloride?
1-benzoylpiperidine-3-sulfonyl chloride has a molecular weight of 287.77 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoylpiperidine-3-sulfonyl chloride is sourced from PubChem (CID 75480400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).