N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

C23H22ClN3O4S — CID 4883568

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O4S/c24-19-8-4-5-9-20(19)26-32(29,30)22-16-18(25-23(28)17-6-2-1-3-7-17)10-11-21(22)27-12-14-31-15-13-27/h1-11,16,26H,12-15H2,(H,25,28)
InChIKeyXPYNUNXETUDBQI-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.23
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (PubChem CID 4883568) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
PubChem CID4883568
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1
InChIInChI=1S/C23H22ClN3O4S/c24-19-8-4-5-9-20(19)26-32(29,30)22-16-18(25-23(28)17-6-2-1-3-7-17)10-11-21(22)27-12-14-31-15-13-27/h1-11,16,26H,12-15H2,(H,25,28)
InChIKeyXPYNUNXETUDBQI-UHFFFAOYSA-N
XLogP4.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
2,4-dichloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1108158
N-(4-morpholin-4-ylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 1118039
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
2-(4-chlorophenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]acetamide
CID 1164400
N-[4-(benzoylamino)phenyl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1355582
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2085100
N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2329235
4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 3147868

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide (CID 4883568) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
The InChIKey is XPYNUNXETUDBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c24-19-8-4-5-9-20(19)26-32(29,30)22-16-18(25-23(28)17-6-2-1-3-7-17)10-11-21(22)27-12-14-31-15-13-27/h1-11,16,26H,12-15H2,(H,25,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 4883568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).