(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone

C17H23ClN2O3S — CID 1069862

IUPAC(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c18-16-8-7-14(24(22,23)20-11-5-2-6-12-20)13-15(16)17(21)19-9-3-1-4-10-19/h7-8,13H,1-6,9-12H2
InChIKeyYGDWVXJUORWKEU-UHFFFAOYSA-N
MW370.90 g/mol
LogP3.14
Rot. Bonds3

About (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone (PubChem CID 1069862) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
PubChem CID1069862
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCC1
InChIInChI=1S/C17H23ClN2O3S/c18-16-8-7-14(24(22,23)20-11-5-2-6-12-20)13-15(16)17(21)19-9-3-1-4-10-19/h7-8,13H,1-6,9-12H2
InChIKeyYGDWVXJUORWKEU-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 18108567
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2530553
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991746
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20974074

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone (CID 1069862) is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone is O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCCCC1.
What is the InChIKey of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone?
The InChIKey is YGDWVXJUORWKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-16-8-7-14(24(22,23)20-11-5-2-6-12-20)13-15(16)17(21)19-9-3-1-4-10-19/h7-8,13H,1-6,9-12H2.
What are the key properties of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone?
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone has a molecular weight of 370.90 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 1069862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).