N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide

C22H17Cl2F3N4O3S — CID 123502628

IUPACN-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
SMILESNC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H17Cl2F3N4O3S/c23-16-5-2-6-17(24)20(16)21(32)30-14-9-19-18(29-10-14)8-13(28)11-31(19)35(33,34)15-4-1-3-12(7-15)22(25,26)27/h1-7,9-10,13H,8,11,28H2,(H,30,32)
InChIKeySLWIPQQIYSRRDI-UHFFFAOYSA-N
MW545.37 g/mol
LogP4.74
Rot. Bonds4

About N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide

N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide (PubChem CID 123502628) has the molecular formula C22H17Cl2F3N4O3S and a molecular weight of 545.37 g/mol. Its IUPAC name is N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
PubChem CID123502628
Molecular FormulaC22H17Cl2F3N4O3S
Molecular Weight545.37 g/mol
Exact Mass544.04
IUPAC NameN-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
SMILESNC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H17Cl2F3N4O3S/c23-16-5-2-6-17(24)20(16)21(32)30-14-9-19-18(29-10-14)8-13(28)11-31(19)35(33,34)15-4-1-3-12(7-15)22(25,26)27/h1-7,9-10,13H,8,11,28H2,(H,30,32)
InChIKeySLWIPQQIYSRRDI-UHFFFAOYSA-N
XLogP4.74
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
[7-amino-5-(4-fluorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]carbamic acid
CID 118163263
2-chloro-6-fluoro-N-[1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-6-yl]benzamide
CID 138454916
2-chloro-6-fluoro-N-[3-methyl-1-(3-methylphenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118023325
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
(3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 126662519
2,6-dichloro-N-[1-(3-chlorophenyl)sulfonyl-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 123259288
2,6-dichloro-N-[(3S)-1-(3-chlorophenyl)sulfonyl-3-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118033503
2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide
CID 123922516
2,6-dichloro-N-[(3R)-1-(3-cyclopropylphenyl)sulfonyl-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 118055870
2-chloro-N-[(2R)-4-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)benzamide
CID 69282396
7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 118348713

Frequently Asked Questions

What is the IUPAC name of N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide (CID 123502628) is N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide is NC1Cc2ncc(NC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide?
The InChIKey is SLWIPQQIYSRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2F3N4O3S/c23-16-5-2-6-17(24)20(16)21(32)30-14-9-19-18(29-10-14)8-13(28)11-31(19)35(33,34)15-4-1-3-12(7-15)22(25,26)27/h1-7,9-10,13H,8,11,28H2,(H,30,32).
What are the key properties of N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide?
N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide has a molecular weight of 545.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 123502628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).