2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C24H25ClN4O4S — CID 175167378

IUPAC2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCCC3C(=O)O)n2)ccc1Cl
InChIInChI=1S/C24H25ClN4O4S/c1-15-7-2-3-8-16(15)23-18(25)13-14-21(28-23)29-34(32,33)22-12-6-11-20(27-22)26-19-10-5-4-9-17(19)24(30)31/h2-3,6-8,11-14,17,19H,4-5,9-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyMXOFZRPVVXSHIC-UHFFFAOYSA-N
MW501.01 g/mol
LogP4.96
Rot. Bonds7

About 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 175167378) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID175167378
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Name2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCCC3C(=O)O)n2)ccc1Cl
InChIInChI=1S/C24H25ClN4O4S/c1-15-7-2-3-8-16(15)23-18(25)13-14-21(28-23)29-34(32,33)22-12-6-11-20(27-22)26-19-10-5-4-9-17(19)24(30)31/h2-3,6-8,11-14,17,19H,4-5,9-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyMXOFZRPVVXSHIC-UHFFFAOYSA-N
XLogP4.96
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-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
N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-6-piperazin-1-ylpyridine-2-sulfonamide;hydrochloride
CID 134306979
6-[(4-hydroxyoxan-3-yl)amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306583
(1S,6R,7S)-2-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-2-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 134344588
8-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 166716602
6-amino-N-[5-chloro-6-(2-cyclopropylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 134306401
6-[[(3S,4R)-3-methoxypiperidin-4-yl]amino]-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;hydrochloride
CID 134306683
4-amino-1-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 134306514
6-amino-N-[5-chloro-6-(2,4-dimethylphenyl)-2-pyridinyl]pyridine-2-sulfonamide
CID 146199328
3-[1-[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]piperidin-2-yl]propanoic acid
CID 155046838
4-[6-[[5-chloro-6-(2,6-dimethylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-3-oxopiperazine-1-carboxylic acid
CID 166706661
1-[[[6-[[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 155046816

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 175167378) is 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(NC3CCCCC3C(=O)O)n2)ccc1Cl.
What is the InChIKey of 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MXOFZRPVVXSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-15-7-2-3-8-16(15)23-18(25)13-14-21(28-23)29-34(32,33)22-12-6-11-20(27-22)26-19-10-5-4-9-17(19)24(30)31/h2-3,6-8,11-14,17,19H,4-5,9-10H2,1H3,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 501.01 g/mol, XLogP of 4.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[5-chloro-6-(2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175167378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).