1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide

C16H21Cl2N3O4S — CID 6493391

IUPAC1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N3O4S/c1-2-21(26(24,25)14-9-12(17)3-4-13(14)18)10-15(22)20-7-5-11(6-8-20)16(19)23/h3-4,9,11H,2,5-8,10H2,1H3,(H2,19,23)
InChIKeyDJSNSJUOMUDLPW-UHFFFAOYSA-N
MW422.33 g/mol
LogP1.73
Rot. Bonds6

About 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide

1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide (PubChem CID 6493391) has the molecular formula C16H21Cl2N3O4S and a molecular weight of 422.33 g/mol. Its IUPAC name is 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
PubChem CID6493391
Molecular FormulaC16H21Cl2N3O4S
Molecular Weight422.33 g/mol
Exact Mass421.06
IUPAC Name1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
SMILESCCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H21Cl2N3O4S/c1-2-21(26(24,25)14-9-12(17)3-4-13(14)18)10-15(22)20-7-5-11(6-8-20)16(19)23/h3-4,9,11H,2,5-8,10H2,1H3,(H2,19,23)
InChIKeyDJSNSJUOMUDLPW-UHFFFAOYSA-N
XLogP1.73
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide (CID 6493391) is 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide is CCN(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is DJSNSJUOMUDLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O4S/c1-2-21(26(24,25)14-9-12(17)3-4-13(14)18)10-15(22)20-7-5-11(6-8-20)16(19)23/h3-4,9,11H,2,5-8,10H2,1H3,(H2,19,23).
What are the key properties of 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide?
1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 422.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 6493391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).