1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid

C24H26ClN3O5S — CID 123914930

IUPAC1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(CCc2ccccc2Cl)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H26ClN3O5S/c25-19-5-2-1-4-16(19)8-9-21(23(29)28-14-11-17(12-15-28)24(30)31)27-34(32,33)22-7-3-6-20-18(22)10-13-26-20/h1-7,10,13,17,21,26-27H,8-9,11-12,14-15H2,(H,30,31)
InChIKeyBGKUWCMPBJVZMA-UHFFFAOYSA-N
MW504.01 g/mol
LogP3.42
Rot. Bonds8

About 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid

1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid (PubChem CID 123914930) has the molecular formula C24H26ClN3O5S and a molecular weight of 504.01 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
PubChem CID123914930
Molecular FormulaC24H26ClN3O5S
Molecular Weight504.01 g/mol
Exact Mass503.13
IUPAC Name1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C(CCc2ccccc2Cl)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H26ClN3O5S/c25-19-5-2-1-4-16(19)8-9-21(23(29)28-14-11-17(12-15-28)24(30)31)27-34(32,33)22-7-3-6-20-18(22)10-13-26-20/h1-7,10,13,17,21,26-27H,8-9,11-12,14-15H2,(H,30,31)
InChIKeyBGKUWCMPBJVZMA-UHFFFAOYSA-N
XLogP3.42
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
CID 58504905
4-[1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidin-3-yl]butanoic acid
CID 58504857
N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58504881
N-[1-(4-methylpiperidin-1-yl)-4-(3-nitrosophenyl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 88882747
N-[4-(2-cyanopyrrol-1-yl)-1-(4-fluoropiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509283
N-[4-(5-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 58509204
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-benzothiophene-3-sulfonamide
CID 58504935
N-(1-oxo-4-phenyl-1-piperidin-1-ylbutan-2-yl)naphthalene-1-sulfonamide
CID 58504910
N-[4-(3-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
CID 70963904
N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 66997380
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 44516302
1H-indole-4-sulfonamide;methyl 1-[2-[(3-chloro-1H-indol-4-yl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)butanoyl]piperidine-4-carboxylate
CID 66885033

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid (CID 123914930) is 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C(CCc2ccccc2Cl)NS(=O)(=O)c2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is BGKUWCMPBJVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5S/c25-19-5-2-1-4-16(19)8-9-21(23(29)28-14-11-17(12-15-28)24(30)31)27-34(32,33)22-7-3-6-20-18(22)10-13-26-20/h1-7,10,13,17,21,26-27H,8-9,11-12,14-15H2,(H,30,31).
What are the key properties of 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid?
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 504.01 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 123914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).