4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide

C23H28ClN3O4S — CID 47088014

IUPAC4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)ccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(30,31)21-15-18(11-12-20(21)24)23(29)25-19-9-7-8-17(14-19)16-26-13-6-5-10-22(26)28/h7-9,11-12,14-15H,3-6,10,13,16H2,1-2H3,(H,25,29)
InChIKeyASHYBIIQTWHSGC-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.14
Rot. Bonds8

About 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide

4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 47088014) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID47088014
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)ccc1Cl
InChIInChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(30,31)21-15-18(11-12-20(21)24)23(29)25-19-9-7-8-17(14-19)16-26-13-6-5-10-22(26)28/h7-9,11-12,14-15H,3-6,10,13,16H2,1-2H3,(H,25,29)
InChIKeyASHYBIIQTWHSGC-UHFFFAOYSA-N
XLogP4.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55379495
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55541960
5,6-dichloro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 49359891
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9426542
3-[methyl(phenyl)sulfamoyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 46599993
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
6-(diethylamino)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 48657361
3-ethoxy-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]-4-propoxybenzamide
CID 49360580
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide (CID 47088014) is 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is ASHYBIIQTWHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-3-27(4-2)32(30,31)21-15-18(11-12-20(21)24)23(29)25-19-9-7-8-17(14-19)16-26-13-6-5-10-22(26)28/h7-9,11-12,14-15H,3-6,10,13,16H2,1-2H3,(H,25,29).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide?
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 478.01 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 47088014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).