2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C19H20Cl2N2O3S — CID 2460524

IUPAC2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-22(16-8-6-15(20)7-9-16)27(25,26)18-13-14(5-10-17(18)21)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyXWTDOKDMZQXTJZ-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.44
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide

2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 2460524) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID2460524
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C19H20Cl2N2O3S/c1-22(16-8-6-15(20)7-9-16)27(25,26)18-13-14(5-10-17(18)21)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3
InChIKeyXWTDOKDMZQXTJZ-UHFFFAOYSA-N
XLogP4.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
phenyl 4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]benzoate
CID 2668465
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
CID 2992743
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 3439145
5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 2460524) is 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XWTDOKDMZQXTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-22(16-8-6-15(20)7-9-16)27(25,26)18-13-14(5-10-17(18)21)19(24)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2460524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).