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

C23H21ClFN3O4S — CID 4057923

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C23H21ClFN3O4S/c24-19-3-1-2-4-20(19)27-33(30,31)22-15-18(9-10-21(22)28-11-13-32-14-12-28)26-23(29)16-5-7-17(25)8-6-16/h1-10,15,27H,11-14H2,(H,26,29)
InChIKeyBJASZWCEUZRXNU-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.37
Rot. Bonds6

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

N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide (PubChem CID 4057923) has the molecular formula C23H21ClFN3O4S and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
PubChem CID4057923
Molecular FormulaC23H21ClFN3O4S
Molecular Weight489.96 g/mol
Exact Mass489.09
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C23H21ClFN3O4S/c24-19-3-1-2-4-20(19)27-33(30,31)22-15-18(9-10-21(22)28-11-13-32-14-12-28)26-23(29)16-5-7-17(25)8-6-16/h1-10,15,27H,11-14H2,(H,26,29)
InChIKeyBJASZWCEUZRXNU-UHFFFAOYSA-N
XLogP4.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.37
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-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
Cambridge id 6798408
CID 1163750
N-[4-(benzoylamino)phenyl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1355582
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
4-Chloro-N-{1-[4-(morpholine-4-sulfonyl)-phenyl]-piperidin-4-ylmethyl}-benzamide
CID 3232214
3-Chloro-N-{1-[4-(morpholine-4-sulfonyl)-phenyl]-piperidin-4-ylmethyl}-benzamide
CID 3232221
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 3431315
4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 4005899
4-chloro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4072010
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 4207677

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide (CID 4057923) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide is O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide?
The InChIKey is BJASZWCEUZRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O4S/c24-19-3-1-2-4-20(19)27-33(30,31)22-15-18(9-10-21(22)28-11-13-32-14-12-28)26-23(29)16-5-7-17(25)8-6-16/h1-10,15,27H,11-14H2,(H,26,29).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide has a molecular weight of 489.96 g/mol, XLogP of 4.37, 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]-4-fluorobenzamide is sourced from PubChem (CID 4057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).