1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride

C12H13Cl2NO3S — CID 75480498

IUPAC1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride
SMILESO=C(c1cccc(Cl)c1)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C12H13Cl2NO3S/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(8-15)19(14,17)18/h1,3-4,7,11H,2,5-6,8H2
InChIKeyVGGNXGNNQOMLAI-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride

1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride (PubChem CID 75480498) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride
PubChem CID75480498
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride
SMILESO=C(c1cccc(Cl)c1)N1CCCC(S(=O)(=O)Cl)C1
InChIInChI=1S/C12H13Cl2NO3S/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(8-15)19(14,17)18/h1,3-4,7,11H,2,5-6,8H2
InChIKeyVGGNXGNNQOMLAI-UHFFFAOYSA-N
XLogP2.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride (CID 75480498) is 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride is O=C(c1cccc(Cl)c1)N1CCCC(S(=O)(=O)Cl)C1.
What is the InChIKey of 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride?
The InChIKey is VGGNXGNNQOMLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(8-15)19(14,17)18/h1,3-4,7,11H,2,5-6,8H2.
What are the key properties of 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride?
1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride has a molecular weight of 322.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride is sourced from PubChem (CID 75480498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).