(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone

C23H27ClN2O4S — CID 1216584

IUPAC(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O4S/c24-22-7-6-20(31(28,29)26-12-14-30-15-13-26)17-21(22)23(27)25-10-8-19(9-11-25)16-18-4-2-1-3-5-18/h1-7,17,19H,8-16H2
InChIKeyKRTHBTOPRZJKRL-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.46
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone

(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 1216584) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID1216584
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27ClN2O4S/c24-22-7-6-20(31(28,29)26-12-14-30-15-13-26)17-21(22)23(27)25-10-8-19(9-11-25)16-18-4-2-1-3-5-18/h1-7,17,19H,8-16H2
InChIKeyKRTHBTOPRZJKRL-UHFFFAOYSA-N
XLogP3.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone (CID 1216584) is (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is KRTHBTOPRZJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c24-22-7-6-20(31(28,29)26-12-14-30-15-13-26)17-21(22)23(27)25-10-8-19(9-11-25)16-18-4-2-1-3-5-18/h1-7,17,19H,8-16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone?
(4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 463.00 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-chloro-5-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1216584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).