4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

C20H24ClN3O5S2 — CID 26251939

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S2/c1-23(2)31(28,29)19-13-15(9-10-18(19)21)20(25)22-16-7-6-8-17(14-16)30(26,27)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)
InChIKeyIXOZTLRJZNVYHS-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.02
Rot. Bonds6

About 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 26251939) has the molecular formula C20H24ClN3O5S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID26251939
Molecular FormulaC20H24ClN3O5S2
Molecular Weight486.02 g/mol
Exact Mass485.08
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl
InChIInChI=1S/C20H24ClN3O5S2/c1-23(2)31(28,29)19-13-15(9-10-18(19)21)20(25)22-16-7-6-8-17(14-16)30(26,27)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25)
InChIKeyIXOZTLRJZNVYHS-UHFFFAOYSA-N
XLogP3.02
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394
3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylcarbamoyl)phenyl]benzamide
CID 29331286
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
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3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166192033
2-chloro-N-methyl-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 55835371
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide (CID 26251939) is 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IXOZTLRJZNVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S2/c1-23(2)31(28,29)19-13-15(9-10-18(19)21)20(25)22-16-7-6-8-17(14-16)30(26,27)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 486.02 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 26251939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).