2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid

C23H18Cl3N3O6S — CID 123996266

IUPAC2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
SMILESO=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)CC(C(O)C(=O)O)C2)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl3N3O6S/c24-14-3-1-4-15(10-14)36(34,35)29-11-13(20(30)23(32)33)9-12-7-8-18(27-21(12)29)28-22(31)19-16(25)5-2-6-17(19)26/h1-8,10,13,20,30H,9,11H2,(H,32,33)(H,27,28,31)
InChIKeyDRDYPEPNVUQNAC-UHFFFAOYSA-N
MW570.84 g/mol
LogP4.11
Rot. Bonds6

About 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid

2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid (PubChem CID 123996266) has the molecular formula C23H18Cl3N3O6S and a molecular weight of 570.84 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
PubChem CID123996266
Molecular FormulaC23H18Cl3N3O6S
Molecular Weight570.84 g/mol
Exact Mass569.00
IUPAC Name2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
SMILESO=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)CC(C(O)C(=O)O)C2)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl3N3O6S/c24-14-3-1-4-15(10-14)36(34,35)29-11-13(20(30)23(32)33)9-12-7-8-18(27-21(12)29)28-22(31)19-16(25)5-2-6-17(19)26/h1-8,10,13,20,30H,9,11H2,(H,32,33)(H,27,28,31)
InChIKeyDRDYPEPNVUQNAC-UHFFFAOYSA-N
XLogP4.11
TPSA136.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.84
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123495473
N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123472446
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913071
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-[(dimethylamino)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070862
N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 123638259
2-[(2R)-4-(3-chlorophenyl)sulfonyl-6-[(2,6-dichlorobenzoyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
CID 118055898
2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913092
N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
CID 118070851
N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
N-[3-acetamido-1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-pyrido[2,3-b][1,4]oxazepin-8-yl]-2,6-dichlorobenzamide
CID 123864914
N-[(6R)-6-amino-8-(3-chlorophenyl)sulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl]-2,6-dichlorobenzamide
CID 118055885
2,6-dichloro-N-[(3R)-1-(3-cyclopropylphenyl)sulfonyl-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 118055870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid (CID 123996266) is 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid is O=C(Nc1ccc2c(n1)N(S(=O)(=O)c1cccc(Cl)c1)CC(C(O)C(=O)O)C2)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid?
The InChIKey is DRDYPEPNVUQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O6S/c24-14-3-1-4-15(10-14)36(34,35)29-11-13(20(30)23(32)33)9-12-7-8-18(27-21(12)29)28-22(31)19-16(25)5-2-6-17(19)26/h1-8,10,13,20,30H,9,11H2,(H,32,33)(H,27,28,31).
What are the key properties of 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid?
2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid has a molecular weight of 570.84 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 123996266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).