N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C22H28ClN3O3S — CID 55336973

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)cc1C
InChIInChI=1S/C22H28ClN3O3S/c1-15-5-7-19(13-16(15)2)30(28,29)26-11-9-17(10-12-26)22(27)24-20-14-18(23)6-8-21(20)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)
InChIKeyRMEOHXLCDLYPPE-UHFFFAOYSA-N
MW450.00 g/mol
LogP4.06
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55336973) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55336973
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)cc1C
InChIInChI=1S/C22H28ClN3O3S/c1-15-5-7-19(13-16(15)2)30(28,29)26-11-9-17(10-12-26)22(27)24-20-14-18(23)6-8-21(20)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)
InChIKeyRMEOHXLCDLYPPE-UHFFFAOYSA-N
XLogP4.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 100798905
N-(5-chloro-2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30843616
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118
N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 78816969
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067539
N-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092875

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55336973) is N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)cc1C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RMEOHXLCDLYPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-15-5-7-19(13-16(15)2)30(28,29)26-11-9-17(10-12-26)22(27)24-20-14-18(23)6-8-21(20)25(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 450.00 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55336973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).