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

C23H28ClN3O4S — CID 3232214

IUPAC4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O4S/c24-20-3-1-19(2-4-20)23(28)25-17-18-9-11-26(12-10-18)21-5-7-22(8-6-21)32(29,30)27-13-15-31-16-14-27/h1-8,18H,9-17H2,(H,25,28)
InChIKeyQVTCJYIHJLYJOC-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.01
Rot. Bonds6

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

4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (PubChem CID 3232214) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
PubChem CID3232214
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O4S/c24-20-3-1-19(2-4-20)23(28)25-17-18-9-11-26(12-10-18)21-5-7-22(8-6-21)32(29,30)27-13-15-31-16-14-27/h1-8,18H,9-17H2,(H,25,28)
InChIKeyQVTCJYIHJLYJOC-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

2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
(2S,3S)-2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155518447
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide (CID 3232214) is 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is QVTCJYIHJLYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c24-20-3-1-19(2-4-20)23(28)25-17-18-9-11-26(12-10-18)21-5-7-22(8-6-21)32(29,30)27-13-15-31-16-14-27/h1-8,18H,9-17H2,(H,25,28).
What are the key properties of 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide?
4-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 4-chloro-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 3232214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).