N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

C17H26ClN3O5S2 — CID 55963352

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O5S2/c1-2-12-27(23,24)21-11-4-3-8-16(21)17(22)19-9-10-20-28(25,26)15-7-5-6-14(18)13-15/h5-7,13,16,20H,2-4,8-12H2,1H3,(H,19,22)
InChIKeySGRDSJIFEWVRHC-UHFFFAOYSA-N
MW452.00 g/mol
LogP1.33
Rot. Bonds9

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55963352) has the molecular formula C17H26ClN3O5S2 and a molecular weight of 452.00 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55963352
Molecular FormulaC17H26ClN3O5S2
Molecular Weight452.00 g/mol
Exact Mass451.10
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H26ClN3O5S2/c1-2-12-27(23,24)21-11-4-3-8-16(21)17(22)19-9-10-20-28(25,26)15-7-5-6-14(18)13-15/h5-7,13,16,20H,2-4,8-12H2,1H3,(H,19,22)
InChIKeySGRDSJIFEWVRHC-UHFFFAOYSA-N
XLogP1.33
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55965272
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-[3-(cyclopropylsulfamoyl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 42929323
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-cyclohexyl-2-methylguanidine;hydroiodide
CID 110957505
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442581
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
CID 55588147
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210097
N-[3-(cyclopropylcarbamoyl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55819863
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55963352) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is SGRDSJIFEWVRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O5S2/c1-2-12-27(23,24)21-11-4-3-8-16(21)17(22)19-9-10-20-28(25,26)15-7-5-6-14(18)13-15/h5-7,13,16,20H,2-4,8-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55963352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).