3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

C23H28ClN3O4S — CID 3232221

IUPAC3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O4S/c24-20-3-1-2-19(16-20)23(28)25-17-18-8-10-26(11-9-18)21-4-6-22(7-5-21)32(29,30)27-12-14-31-15-13-27/h1-7,16,18H,8-15,17H2,(H,25,28)
InChIKeyUPYKJKKOJYFSKW-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.01
Rot. Bonds6

About 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide

3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (PubChem CID 3232221) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
PubChem CID3232221
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O4S/c24-20-3-1-2-19(16-20)23(28)25-17-18-8-10-26(11-9-18)21-4-6-22(7-5-21)32(29,30)27-12-14-31-15-13-27/h1-7,16,18H,8-15,17H2,(H,25,28)
InChIKeyUPYKJKKOJYFSKW-UHFFFAOYSA-N
XLogP3.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2811587
CID 2811587
CID 1101763
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CID 1010558
CID 1010558
CID 2455664
CID 2455664
CID 4057923
CID 4057923
CID 3245349
CID 3245349
CID 1138680
CID 1138680
CID 3158002
CID 3158002
CID 777437
CID 777437
CID 997370
CID 997370
CID 1108158
CID 1108158
CID 1118039
CID 1118039

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (CID 3232221) is 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is UPYKJKKOJYFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c24-20-3-1-2-19(16-20)23(28)25-17-18-8-10-26(11-9-18)21-4-6-22(7-5-21)32(29,30)27-12-14-31-15-13-27/h1-7,16,18H,8-15,17H2,(H,25,28).
What are the key properties of 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 478.01 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 3232221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).