2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide

C13H18ClN3O3S — CID 60801411

IUPAC2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O3S/c14-10-2-1-3-12(8-10)21(19,20)17(9-13(15)18)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2,(H2,15,18)
InChIKeyPQDZJUJIQDRVHO-UHFFFAOYSA-N
MW331.82 g/mol
LogP0.57
Rot. Bonds5

About 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide

2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide (PubChem CID 60801411) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
PubChem CID60801411
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.82 g/mol
Exact Mass331.08
IUPAC Name2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
SMILESNC(=O)CN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O3S/c14-10-2-1-3-12(8-10)21(19,20)17(9-13(15)18)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2,(H2,15,18)
InChIKeyPQDZJUJIQDRVHO-UHFFFAOYSA-N
XLogP0.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60799639
2-[piperidin-4-yl(thiophen-2-ylsulfonyl)amino]acetamide
CID 60802279
2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
CID 19837764
2-[(4-fluorophenyl)sulfonyl-pyrrolidin-3-ylamino]acetamide
CID 60806186
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539815
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
CID 64606928
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide (CID 60801411) is 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide is NC(=O)CN(C1CCNCC1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide?
The InChIKey is PQDZJUJIQDRVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c14-10-2-1-3-12(8-10)21(19,20)17(9-13(15)18)11-4-6-16-7-5-11/h1-3,8,11,16H,4-7,9H2,(H2,15,18).
What are the key properties of 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide?
2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide has a molecular weight of 331.82 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 60801411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).