N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide

C21H26ClN3O3S — CID 2441869

IUPACN-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)18-10-7-16(8-11-18)21(26)23-19-15-17(22)9-12-20(19)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyBDWUPSLFXSTACJ-UHFFFAOYSA-N
MW435.98 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 2441869) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID2441869
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1
InChIInChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)18-10-7-16(8-11-18)21(26)23-19-15-17(22)9-12-20(19)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyBDWUPSLFXSTACJ-UHFFFAOYSA-N
XLogP4.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2125109
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(5-chloro-2-morpholin-4-ylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801212
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 42999901
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
2-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 38705177
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide (CID 2441869) is N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is BDWUPSLFXSTACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-24(2)29(27,28)18-10-7-16(8-11-18)21(26)23-19-15-17(22)9-12-20(19)25-13-5-3-4-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 435.98 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2441869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).