2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid

C28H24Cl3N3O5S — CID 66991299

IUPAC2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(c1cccc2c(NC(=O)c3cc(Cl)ccn3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C28H24Cl3N3O5S/c1-2-3-9-26(28(36)37)34(40(38,39)20-14-18(30)13-19(31)15-20)25-10-5-6-21-22(25)7-4-8-23(21)33-27(35)24-16-17(29)11-12-32-24/h4-8,10-16,26H,2-3,9H2,1H3,(H,33,35)(H,36,37)
InChIKeyWWQOKMTXYSAMCJ-UHFFFAOYSA-N
MW620.94 g/mol
LogP7.29
Rot. Bonds10

About 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid

2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid (PubChem CID 66991299) has the molecular formula C28H24Cl3N3O5S and a molecular weight of 620.94 g/mol. Its IUPAC name is 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
PubChem CID66991299
Molecular FormulaC28H24Cl3N3O5S
Molecular Weight620.94 g/mol
Exact Mass619.05
IUPAC Name2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(C(=O)O)N(c1cccc2c(NC(=O)c3cc(Cl)ccn3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C28H24Cl3N3O5S/c1-2-3-9-26(28(36)37)34(40(38,39)20-14-18(30)13-19(31)15-20)25-10-5-6-21-22(25)7-4-8-23(21)33-27(35)24-16-17(29)11-12-32-24/h4-8,10-16,26H,2-3,9H2,1H3,(H,33,35)(H,36,37)
InChIKeyWWQOKMTXYSAMCJ-UHFFFAOYSA-N
XLogP7.29
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.94
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid with MolForge

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-[5-(pyridin-2-ylmethylcarbamoyl)naphthalen-1-yl]amino]hexanoic acid
CID 66908914
2-[(5-cyanonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66908919
2-[(3,5-dichlorophenyl)sulfonyl-[5-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]naphthalen-1-yl]amino]hexanoic acid
CID 66908953
2-[(2-acetamidonaphthalen-1-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66991199
2-[(3,5-dichlorophenyl)sulfonyl-[5-(1-phenylethylcarbamoyl)naphthalen-2-yl]amino]hexanoic acid
CID 66908824
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
butyl 2-[[5-(2-chloropyrimidin-4-yl)naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 123968515
2-[(6-carbamoylnaphthalen-2-yl)-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid
CID 66908938
2-[(3,5-dichlorophenyl)sulfonyl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908951
2-[(3,5-dichlorophenyl)sulfonyl-[6-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)naphthalen-2-yl]amino]hexanoic acid
CID 66908899
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid (CID 66991299) is 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid is CCCCC(C(=O)O)N(c1cccc2c(NC(=O)c3cc(Cl)ccn3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
The InChIKey is WWQOKMTXYSAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl3N3O5S/c1-2-3-9-26(28(36)37)34(40(38,39)20-14-18(30)13-19(31)15-20)25-10-5-6-21-22(25)7-4-8-23(21)33-27(35)24-16-17(29)11-12-32-24/h4-8,10-16,26H,2-3,9H2,1H3,(H,33,35)(H,36,37).
What are the key properties of 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid?
2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid has a molecular weight of 620.94 g/mol, XLogP of 7.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-chloropyridine-2-carbonyl)amino]naphthalen-1-yl]-(3,5-dichlorophenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 66991299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).