4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide

C18H16FN5O2S — CID 164968300

IUPAC4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1ccc2c(ncc3nc(C)n(Cc4ccc(S(N)(=O)=O)c(F)c4)c32)n1
InChIInChI=1S/C18H16FN5O2S/c1-10-3-5-13-17-15(8-21-18(13)22-10)23-11(2)24(17)9-12-4-6-16(14(19)7-12)27(20,25)26/h3-8H,9H2,1-2H3,(H2,20,25,26)
InChIKeyCTTLGHUXRGJINB-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.43
Rot. Bonds3

About 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide

4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 164968300) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID164968300
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1ccc2c(ncc3nc(C)n(Cc4ccc(S(N)(=O)=O)c(F)c4)c32)n1
InChIInChI=1S/C18H16FN5O2S/c1-10-3-5-13-17-15(8-21-18(13)22-10)23-11(2)24(17)9-12-4-6-16(14(19)7-12)27(20,25)26/h3-8H,9H2,1-2H3,(H2,20,25,26)
InChIKeyCTTLGHUXRGJINB-UHFFFAOYSA-N
XLogP2.43
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide (CID 164968300) is 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide is Cc1ccc2c(ncc3nc(C)n(Cc4ccc(S(N)(=O)=O)c(F)c4)c32)n1.
What is the InChIKey of 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is CTTLGHUXRGJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-10-3-5-13-17-15(8-21-18(13)22-10)23-11(2)24(17)9-12-4-6-16(14(19)7-12)27(20,25)26/h3-8H,9H2,1-2H3,(H2,20,25,26).
What are the key properties of 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide?
4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,7-dimethylimidazo[4,5-c][1,8]naphthyridin-1-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 164968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).