N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide

C15H13F4N3OS — CID 142060117

IUPACN-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide
SMILESCS(=O)NCC1(C(F)(F)F)c2cc(F)ccc2Nc2ncccc21
InChIInChI=1S/C15H13F4N3OS/c1-24(23)21-8-14(15(17,18)19)10-3-2-6-20-13(10)22-12-5-4-9(16)7-11(12)14/h2-7,21H,8H2,1H3,(H,20,22)
InChIKeyZTCBSNVGCVHANP-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.01
Rot. Bonds3

About N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide

N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide (PubChem CID 142060117) has the molecular formula C15H13F4N3OS and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide
PubChem CID142060117
Molecular FormulaC15H13F4N3OS
Molecular Weight359.35 g/mol
Exact Mass359.07
IUPAC NameN-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide
SMILESCS(=O)NCC1(C(F)(F)F)c2cc(F)ccc2Nc2ncccc21
InChIInChI=1S/C15H13F4N3OS/c1-24(23)21-8-14(15(17,18)19)10-3-2-6-20-13(10)22-12-5-4-9(16)7-11(12)14/h2-7,21H,8H2,1H3,(H,20,22)
InChIKeyZTCBSNVGCVHANP-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide?
The IUPAC name of N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide (CID 142060117) is N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide.
What is the SMILES notation for N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide?
The canonical SMILES for N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide is CS(=O)NCC1(C(F)(F)F)c2cc(F)ccc2Nc2ncccc21.
What is the InChIKey of N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide?
The InChIKey is ZTCBSNVGCVHANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3OS/c1-24(23)21-8-14(15(17,18)19)10-3-2-6-20-13(10)22-12-5-4-9(16)7-11(12)14/h2-7,21H,8H2,1H3,(H,20,22).
What are the key properties of N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide?
N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide has a molecular weight of 359.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-5-(trifluoromethyl)-10H-benzo[b][1,8]naphthyridin-5-yl]methyl]methanesulfinamide is sourced from PubChem (CID 142060117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).