(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone

C17H23ClN2O4S — CID 78802539

IUPAC(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C17H23ClN2O4S/c18-16-5-4-14(25(23,24)20-8-2-1-3-9-20)12-15(16)17(22)19-10-6-13(21)7-11-19/h4-5,12-13,21H,1-3,6-11H2
InChIKeySLJZJPNTSGRBLR-UHFFFAOYSA-N
MW386.90 g/mol
LogP2.11
Rot. Bonds3

About (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 78802539) has the molecular formula C17H23ClN2O4S and a molecular weight of 386.90 g/mol. Its IUPAC name is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID78802539
Molecular FormulaC17H23ClN2O4S
Molecular Weight386.90 g/mol
Exact Mass386.11
IUPAC Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC(O)CC1
InChIInChI=1S/C17H23ClN2O4S/c18-16-5-4-14(25(23,24)20-8-2-1-3-9-20)12-15(16)17(22)19-10-6-13(21)7-11-19/h4-5,12-13,21H,1-3,6-11H2
InChIKeySLJZJPNTSGRBLR-UHFFFAOYSA-N
XLogP2.11
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 20974074
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769687
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2530553
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 78802539) is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCC(O)CC1.
What is the InChIKey of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is SLJZJPNTSGRBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S/c18-16-5-4-14(25(23,24)20-8-2-1-3-9-20)12-15(16)17(22)19-10-6-13(21)7-11-19/h4-5,12-13,21H,1-3,6-11H2.
What are the key properties of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone?
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 386.90 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 78802539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).