methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate

C20H20Cl2N2O5S — CID 55350196

IUPACmethyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C20H20Cl2N2O5S/c1-29-20(26)13-8-10-24(11-9-13)19(25)14-2-7-17(22)18(12-14)30(27,28)23-16-5-3-15(21)4-6-16/h2-7,12-13,23H,8-11H2,1H3
InChIKeyAZPRVTJPTLWGLN-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.82
Rot. Bonds5

About methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate

methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate (PubChem CID 55350196) has the molecular formula C20H20Cl2N2O5S and a molecular weight of 471.36 g/mol. Its IUPAC name is methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
PubChem CID55350196
Molecular FormulaC20H20Cl2N2O5S
Molecular Weight471.36 g/mol
Exact Mass470.05
IUPAC Namemethyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C20H20Cl2N2O5S/c1-29-20(26)13-8-10-24(11-9-13)19(25)14-2-7-17(22)18(12-14)30(27,28)23-16-5-3-15(21)4-6-16/h2-7,12-13,23H,8-11H2,1H3
InChIKeyAZPRVTJPTLWGLN-UHFFFAOYSA-N
XLogP3.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 2330006
2-chloro-N-(4-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 55347547
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43009939
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
2,5-dichloro-N-[4-(3-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78798212
1-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 5236440
1-(4-chloro-3-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 31307506

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate (CID 55350196) is methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
The InChIKey is AZPRVTJPTLWGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O5S/c1-29-20(26)13-8-10-24(11-9-13)19(25)14-2-7-17(22)18(12-14)30(27,28)23-16-5-3-15(21)4-6-16/h2-7,12-13,23H,8-11H2,1H3.
What are the key properties of methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate?
methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate has a molecular weight of 471.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55350196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).