(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide

C22H25Cl2N3O4S — CID 52910121

IUPAC(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14(2)26-32(30,31)17-7-5-6-15(12-17)22(29)27-11-4-3-8-20(27)21(28)25-19-13-16(23)9-10-18(19)24/h5-7,9-10,12-14,20,26H,3-4,8,11H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyIDHXARLLTPQWNP-FQEVSTJZSA-N
MW498.43 g/mol
LogP4.31
Rot. Bonds6

About (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide

(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide (PubChem CID 52910121) has the molecular formula C22H25Cl2N3O4S and a molecular weight of 498.43 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
PubChem CID52910121
Molecular FormulaC22H25Cl2N3O4S
Molecular Weight498.43 g/mol
Exact Mass497.09
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14(2)26-32(30,31)17-7-5-6-15(12-17)22(29)27-11-4-3-8-20(27)21(28)25-19-13-16(23)9-10-18(19)24/h5-7,9-10,12-14,20,26H,3-4,8,11H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyIDHXARLLTPQWNP-FQEVSTJZSA-N
XLogP4.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
CID 55613875
N-(2,4-dichlorophenyl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoyl]piperidine-2-carboxamide
CID 167899691
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 26011766
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268
N-(2,5-dichlorophenyl)-1-(3,4-diphenylbutanoyl)piperidine-2-carboxamide
CID 155965010
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[3-(3-cyanoazetidin-1-yl)sulfonylbenzoyl]piperidine-2-carboxamide
CID 155769234

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide (CID 52910121) is (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide?
The InChIKey is IDHXARLLTPQWNP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4S/c1-14(2)26-32(30,31)17-7-5-6-15(12-17)22(29)27-11-4-3-8-20(27)21(28)25-19-13-16(23)9-10-18(19)24/h5-7,9-10,12-14,20,26H,3-4,8,11H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide?
(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide has a molecular weight of 498.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide is sourced from PubChem (CID 52910121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).