(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C18H25ClN2O4S — CID 25161915

IUPAC(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC(C)O1
InChIInChI=1S/C18H25ClN2O4S/c1-13-11-20(12-14(2)25-13)18(22)16-10-15(6-7-17(16)19)26(23,24)21-8-4-3-5-9-21/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3
InChIKeyYFAPZVHNBSCBEW-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.76
Rot. Bonds3

About (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 25161915) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID25161915
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC(C)O1
InChIInChI=1S/C18H25ClN2O4S/c1-13-11-20(12-14(2)25-13)18(22)16-10-15(6-7-17(16)19)26(23,24)21-8-4-3-5-9-21/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3
InChIKeyYFAPZVHNBSCBEW-UHFFFAOYSA-N
XLogP2.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 25161915) is (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC(C)O1.
What is the InChIKey of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is YFAPZVHNBSCBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-13-11-20(12-14(2)25-13)18(22)16-10-15(6-7-17(16)19)26(23,24)21-8-4-3-5-9-21/h6-7,10,13-14H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 400.93 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 25161915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).