5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid

C16H21ClN2O5S — CID 139613468

IUPAC5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O5S/c17-12-4-6-14(7-5-12)25(23,24)18-13-8-10-19(11-9-13)15(20)2-1-3-16(21)22/h4-7,13,18H,1-3,8-11H2,(H,21,22)
InChIKeyNGDHTLPHFNXPKH-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.86
Rot. Bonds7

About 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid

5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 139613468) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
PubChem CID139613468
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O5S/c17-12-4-6-14(7-5-12)25(23,24)18-13-8-10-19(11-9-13)15(20)2-1-3-16(21)22/h4-7,13,18H,1-3,8-11H2,(H,21,22)
InChIKeyNGDHTLPHFNXPKH-UHFFFAOYSA-N
XLogP1.86
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 108566133
6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
4-chloro-N-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823741
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
N-[1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34346590
N-[1-(4-aminobutanoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294498
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-[1-[2-(4-chlorophenyl)sulfanylacetyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 34339552
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 33163817
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid (CID 139613468) is 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is NGDHTLPHFNXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-12-4-6-14(7-5-12)25(23,24)18-13-8-10-19(11-9-13)15(20)2-1-3-16(21)22/h4-7,13,18H,1-3,8-11H2,(H,21,22).
What are the key properties of 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid?
5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 388.87 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 139613468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).