1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid

C29H27ClN4O4S — CID 155046808

IUPAC1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccccc4-c4ccccc4)n3)n2)C1
InChIInChI=1S/C29H27ClN4O4S/c1-29(28(35)36)17-8-18-34(19-29)25-13-7-14-26(32-25)39(37,38)33-24-16-15-23(30)27(31-24)22-12-6-5-11-21(22)20-9-3-2-4-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,31,33)(H,35,36)
InChIKeyAUANJRDMPTXPEX-UHFFFAOYSA-N
MW563.08 g/mol
LogP5.96
Rot. Bonds7

About 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid

1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 155046808) has the molecular formula C29H27ClN4O4S and a molecular weight of 563.08 g/mol. Its IUPAC name is 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID155046808
Molecular FormulaC29H27ClN4O4S
Molecular Weight563.08 g/mol
Exact Mass562.14
IUPAC Name1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccccc4-c4ccccc4)n3)n2)C1
InChIInChI=1S/C29H27ClN4O4S/c1-29(28(35)36)17-8-18-34(19-29)25-13-7-14-26(32-25)39(37,38)33-24-16-15-23(30)27(31-24)22-12-6-5-11-21(22)20-9-3-2-4-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,31,33)(H,35,36)
InChIKeyAUANJRDMPTXPEX-UHFFFAOYSA-N
XLogP5.96
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.08
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134328854
(3R)-1-[6-[[6-(2-cyclopropylphenyl)-5-methyl-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306906
1-[6-[[6-[2-(2-hydroxyethyl)phenyl]-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306728
1-[6-[[6-(2-cyclopropylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134306615
(3R)-1-[6-[[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 134308381
1-[6-[[5-chloro-6-(2-propan-2-ylphenyl)-2-pyridinyl]amino]sulfanyl-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid
CID 166716923
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
6-[(3R)-3-(dihydroxymethyl)-3-methylpiperidin-1-yl]-N-[5-methyl-6-(2-methylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 166716850
N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306979
2-[(3S)-3-methyl-1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 154674700
N-[5-chloro-6-(2-chloro-3-fluorophenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134328946
N-[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyridine-2-sulfonamide
CID 134344518

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid (CID 155046808) is 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(c2cccc(S(=O)(=O)Nc3ccc(Cl)c(-c4ccccc4-c4ccccc4)n3)n2)C1.
What is the InChIKey of 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is AUANJRDMPTXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O4S/c1-29(28(35)36)17-8-18-34(19-29)25-13-7-14-26(32-25)39(37,38)33-24-16-15-23(30)27(31-24)22-12-6-5-11-21(22)20-9-3-2-4-10-20/h2-7,9-16H,8,17-19H2,1H3,(H,31,33)(H,35,36).
What are the key properties of 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid?
1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 563.08 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 155046808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).