4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide

C23H23ClN2O3S — CID 16833688

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17(2)26(16-18-7-4-3-5-8-18)30(28,29)22-13-11-19(12-14-22)23(27)25-21-10-6-9-20(24)15-21/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyBKJZWMCZOGBXFZ-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.19
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide (PubChem CID 16833688) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
PubChem CID16833688
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
SMILESCC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-17(2)26(16-18-7-4-3-5-8-18)30(28,29)22-13-11-19(12-14-22)23(27)25-21-10-6-9-20(24)15-21/h3-15,17H,16H2,1-2H3,(H,25,27)
InChIKeyBKJZWMCZOGBXFZ-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 7153842
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide (CID 16833688) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide is CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide?
The InChIKey is BKJZWMCZOGBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-17(2)26(16-18-7-4-3-5-8-18)30(28,29)22-13-11-19(12-14-22)23(27)25-21-10-6-9-20(24)15-21/h3-15,17H,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 16833688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).