N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide

C22H21ClN2O4S — CID 90343025

IUPACN-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide
SMILESCC(O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15(26)16-6-12-20(13-7-16)25(2)30(28,29)21-5-3-4-17(14-21)22(27)24-19-10-8-18(23)9-11-19/h3-15,26H,1-2H3,(H,24,27)
InChIKeyZTBLTOAOJZBTPZ-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.47
Rot. Bonds6

About N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide

N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide (PubChem CID 90343025) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide
PubChem CID90343025
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide
SMILESCC(O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15(26)16-6-12-20(13-7-16)25(2)30(28,29)21-5-3-4-17(14-21)22(27)24-19-10-8-18(23)9-11-19/h3-15,26H,1-2H3,(H,24,27)
InChIKeyZTBLTOAOJZBTPZ-UHFFFAOYSA-N
XLogP4.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide (CID 90343025) is N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide is CC(O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide?
The InChIKey is ZTBLTOAOJZBTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15(26)16-6-12-20(13-7-16)25(2)30(28,29)21-5-3-4-17(14-21)22(27)24-19-10-8-18(23)9-11-19/h3-15,26H,1-2H3,(H,24,27).
What are the key properties of N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide?
N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide is sourced from PubChem (CID 90343025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).