[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide

C15H21ClN2O3S — CID 102602947

IUPAC[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C(=O)N1CCCC(CS(N)(=O)=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-5-2-6-14(16)8-13)15(19)18-7-3-4-12(9-18)10-22(17,20)21/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,17,20,21)
InChIKeyNCJJGUZVCNNTIW-UHFFFAOYSA-N
MW344.86 g/mol
LogP1.97
Rot. Bonds4

About [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide

[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide (PubChem CID 102602947) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
PubChem CID102602947
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide
SMILESCC(C(=O)N1CCCC(CS(N)(=O)=O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-11(13-5-2-6-14(16)8-13)15(19)18-7-3-4-12(9-18)10-22(17,20)21/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,17,20,21)
InChIKeyNCJJGUZVCNNTIW-UHFFFAOYSA-N
XLogP1.97
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 96515238
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one
CID 63395750
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119464933
(3S)-3-[(carbamoylamino)methyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxamide
CID 95761695
(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
CID 97257435
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide (CID 102602947) is [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide is CC(C(=O)N1CCCC(CS(N)(=O)=O)C1)c1cccc(Cl)c1.
What is the InChIKey of [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is NCJJGUZVCNNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(13-5-2-6-14(16)8-13)15(19)18-7-3-4-12(9-18)10-22(17,20)21/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,17,20,21).
What are the key properties of [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide?
[1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenyl)propanoyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 102602947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).