methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate

C20H21Cl2N3O5S — CID 58268147

IUPACmethyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H21Cl2N3O5S/c1-12-9-14(6-7-15(12)22)31(28,29)24-16-10-13(21)11-23-18(16)19(26)25-8-4-3-5-17(25)20(27)30-2/h6-7,9-11,17,24H,3-5,8H2,1-2H3
InChIKeyUUTXCFCNJBFHQC-UHFFFAOYSA-N
MW486.38 g/mol
LogP3.67
Rot. Bonds5

About methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate

methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate (PubChem CID 58268147) has the molecular formula C20H21Cl2N3O5S and a molecular weight of 486.38 g/mol. Its IUPAC name is methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
PubChem CID58268147
Molecular FormulaC20H21Cl2N3O5S
Molecular Weight486.38 g/mol
Exact Mass485.06
IUPAC Namemethyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H21Cl2N3O5S/c1-12-9-14(6-7-15(12)22)31(28,29)24-16-10-13(21)11-23-18(16)19(26)25-8-4-3-5-17(25)20(27)30-2/h6-7,9-11,17,24H,3-5,8H2,1-2H3
InChIKeyUUTXCFCNJBFHQC-UHFFFAOYSA-N
XLogP3.67
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
methyl (2R)-1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylate
CID 79833940
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate (CID 58268147) is methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate?
The InChIKey is UUTXCFCNJBFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O5S/c1-12-9-14(6-7-15(12)22)31(28,29)24-16-10-13(21)11-23-18(16)19(26)25-8-4-3-5-17(25)20(27)30-2/h6-7,9-11,17,24H,3-5,8H2,1-2H3.
What are the key properties of methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate?
methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate has a molecular weight of 486.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 58268147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).