2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone

C13H17ClN2O3S — CID 81180590

IUPAC2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESNc1ccc(Cl)cc1S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-5-11(15)12(8-10)20(18,19)9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2
InChIKeyZOGCLAYKOAZXLC-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone

2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone (PubChem CID 81180590) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
PubChem CID81180590
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESNc1ccc(Cl)cc1S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-5-11(15)12(8-10)20(18,19)9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2
InChIKeyZOGCLAYKOAZXLC-UHFFFAOYSA-N
XLogP1.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81175594
2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 81175966
2-(4-amino-2-fluorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185010
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
4-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]aniline
CID 81180514
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
CID 81179982
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbenzoic acid
CID 24696772
2-(2-aminophenyl)sulfonyl-1-(4-methylpiperazin-1-yl)ethanone
CID 61367606
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
4-chloro-2-(cyclopropylmethylsulfonyl)aniline
CID 81181138
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone (CID 81180590) is 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone is Nc1ccc(Cl)cc1S(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The InChIKey is ZOGCLAYKOAZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-10-4-5-11(15)12(8-10)20(18,19)9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2.
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone has a molecular weight of 316.81 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 81180590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).