2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one

C14H19ClN2O3S — CID 81185324

IUPAC2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-10(14(18)17-8-3-2-4-9-17)21(19,20)13-11(15)6-5-7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3
InChIKeyXTHZGVSLZZKJEU-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one

2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one (PubChem CID 81185324) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
PubChem CID81185324
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-10(14(18)17-8-3-2-4-9-17)21(19,20)13-11(15)6-5-7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3
InChIKeyXTHZGVSLZZKJEU-UHFFFAOYSA-N
XLogP2.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.10
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-6-chlorophenyl)sulfonylpropanamide
CID 81186260
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185661
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-[(3-amino-4-pyridinyl)sulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 62113460
2-(2-amino-5-fluorophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81183690
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
2-(2-aminophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 61367612
2-(2-amino-5-methoxyphenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 81201309
2-(4-amino-3-chlorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 81201911

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one (CID 81185324) is 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)S(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is XTHZGVSLZZKJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10(14(18)17-8-3-2-4-9-17)21(19,20)13-11(15)6-5-7-12(13)16/h5-7,10H,2-4,8-9,16H2,1H3.
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one?
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 330.84 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 81185324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).