4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O3S — CID 2683305

IUPAC4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-10-15(2)12-17(11-14)22-20(24)16-6-7-18(21)19(13-16)27(25,26)23-8-4-3-5-9-23/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyNKGZFUXJEWXBMZ-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.38
Rot. Bonds4

About 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2683305) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2683305
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-10-15(2)12-17(11-14)22-20(24)16-6-7-18(21)19(13-16)27(25,26)23-8-4-3-5-9-23/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyNKGZFUXJEWXBMZ-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 4001092
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-chlorobenzamide
CID 4800375
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2683305) is 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NKGZFUXJEWXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-10-15(2)12-17(11-14)22-20(24)16-6-7-18(21)19(13-16)27(25,26)23-8-4-3-5-9-23/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2683305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).