N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C22H26ClN3O4S — CID 38957548

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-15-7-9-17(31(29,30)26-11-5-4-6-12-26)14-18(15)21(27)24-20-13-16(8-10-19(20)23)22(28)25(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyAYGSUAWNMFRIMX-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.78
Rot. Bonds5

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 38957548) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID38957548
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C22H26ClN3O4S/c1-15-7-9-17(31(29,30)26-11-5-4-6-12-26)14-18(15)21(27)24-20-13-16(8-10-19(20)23)22(28)25(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,27)
InChIKeyAYGSUAWNMFRIMX-UHFFFAOYSA-N
XLogP3.78
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55669763
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-(3,5-difluorophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 27906905
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 38957548) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is AYGSUAWNMFRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-15-7-9-17(31(29,30)26-11-5-4-6-12-26)14-18(15)21(27)24-20-13-16(8-10-19(20)23)22(28)25(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,27).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 463.99 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 38957548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).