3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid

C15H19ClN2O5S — CID 131961723

IUPAC3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid
SMILESNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(CCC(=O)O)CC2)c1
InChIInChI=1S/C15H19ClN2O5S/c16-12-7-11(15(17)21)8-13(9-12)24(22,23)18-5-3-10(4-6-18)1-2-14(19)20/h7-10H,1-6H2,(H2,17,21)(H,19,20)
InChIKeyQAYMKMIWQKYFLW-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.70
Rot. Bonds6

About 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid

3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid (PubChem CID 131961723) has the molecular formula C15H19ClN2O5S and a molecular weight of 374.85 g/mol. Its IUPAC name is 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid
PubChem CID131961723
Molecular FormulaC15H19ClN2O5S
Molecular Weight374.85 g/mol
Exact Mass374.07
IUPAC Name3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid
SMILESNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(CCC(=O)O)CC2)c1
InChIInChI=1S/C15H19ClN2O5S/c16-12-7-11(15(17)21)8-13(9-12)24(22,23)18-5-3-10(4-6-18)1-2-14(19)20/h7-10H,1-6H2,(H2,17,21)(H,19,20)
InChIKeyQAYMKMIWQKYFLW-UHFFFAOYSA-N
XLogP1.70
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide
CID 120778896
3-[4-(aminomethyl)piperidin-1-yl]sulfonyl-5-bromobenzamide
CID 120999487
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
CID 63396330
[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
3-chloro-5-[3-(2-methoxyethoxy)azetidin-1-yl]sulfonylbenzoic acid
CID 138001391
3-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62218191
3-[1-(2-bromo-4-carbamoylphenyl)piperidin-4-yl]propanoic acid
CID 82785371
3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide
CID 167932683
3-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 79997724
3-[(3R,4S)-3-(2-carboxyethyl)-4-(dimethylamino)piperidin-1-yl]sulfonylbenzoic acid
CID 72860290
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid (CID 131961723) is 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid is NC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(CCC(=O)O)CC2)c1.
What is the InChIKey of 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid?
The InChIKey is QAYMKMIWQKYFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5S/c16-12-7-11(15(17)21)8-13(9-12)24(22,23)18-5-3-10(4-6-18)1-2-14(19)20/h7-10H,1-6H2,(H2,17,21)(H,19,20).
What are the key properties of 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid?
3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid has a molecular weight of 374.85 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid is sourced from PubChem (CID 131961723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).