1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

C14H16ClN3O2S — CID 75425735

IUPAC1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H16ClN3O2S/c15-12-5-1-2-6-13(12)21(19,20)18-9-3-4-11(10-18)14-16-7-8-17-14/h1-2,5-8,11H,3-4,9-10H2,(H,16,17)
InChIKeySAOFQCNQLFERBW-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine

1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (PubChem CID 75425735) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
PubChem CID75425735
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H16ClN3O2S/c15-12-5-1-2-6-13(12)21(19,20)18-9-3-4-11(10-18)14-16-7-8-17-14/h1-2,5-8,11H,3-4,9-10H2,(H,16,17)
InChIKeySAOFQCNQLFERBW-UHFFFAOYSA-N
XLogP2.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine (CID 75425735) is 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is O=S(=O)(c1ccccc1Cl)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
The InChIKey is SAOFQCNQLFERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-12-5-1-2-6-13(12)21(19,20)18-9-3-4-11(10-18)14-16-7-8-17-14/h1-2,5-8,11H,3-4,9-10H2,(H,16,17).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine?
1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine has a molecular weight of 325.82 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 75425735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).