2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone

C13H17ClN2O3S — CID 81175594

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESNc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-5-12(11(15)8-10)20(18,19)9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2
InChIKeyGQTNOTLVNZEYSV-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone

2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone (PubChem CID 81175594) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
PubChem CID81175594
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
SMILESNc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-10-4-5-12(11(15)8-10)20(18,19)9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9,15H2
InChIKeyGQTNOTLVNZEYSV-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-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81180590
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
2-(2-amino-4-chloro-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438204
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-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2-[(2-amino-4-chlorophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62102227
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(2-amino-4-chlorophenyl)sulfanyl-1-(azepan-1-yl)propan-1-one
CID 43117482

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone (CID 81175594) is 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone is Nc1cc(Cl)ccc1S(=O)(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
The InChIKey is GQTNOTLVNZEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-10-4-5-12(11(15)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-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone?
2-(2-amino-4-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-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 81175594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).