4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O3S — CID 2599735

IUPAC4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C20H23ClN2O3S/c1-14-7-6-8-18(15(14)2)22-20(24)16-9-10-17(21)19(13-16)27(25,26)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeySCXWURKBBGEACG-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.38
Rot. Bonds4

About 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2599735) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2599735
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1C
InChIInChI=1S/C20H23ClN2O3S/c1-14-7-6-8-18(15(14)2)22-20(24)16-9-10-17(21)19(13-16)27(25,26)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24)
InChIKeySCXWURKBBGEACG-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-(2,3-dimethylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 42992443
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2347442
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-methylphenyl)-4-chlorobenzamide
CID 4800375
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
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-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2599735) is 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1C.
What is the InChIKey of 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SCXWURKBBGEACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-7-6-8-18(15(14)2)22-20(24)16-9-10-17(21)19(13-16)27(25,26)23-11-4-3-5-12-23/h6-10,13H,3-5,11-12H2,1-2H3,(H,22,24).
What are the key properties of 4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(2,3-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-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2599735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).