N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

C27H30ClF3N4O4S — CID 23122540

IUPACN-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCOc1cc(COc2nc3c(cc2NS(=O)(=O)c2ccccc2C(F)(F)F)CN(C)CC3)ccc1Cl
InChIInChI=1S/C27H30ClF3N4O4S/c1-34(2)12-13-38-24-14-18(8-9-21(24)28)17-39-26-23(15-19-16-35(3)11-10-22(19)32-26)33-40(36,37)25-7-5-4-6-20(25)27(29,30)31/h4-9,14-15,33H,10-13,16-17H2,1-3H3
InChIKeyFWVRKOUIRAMGIW-UHFFFAOYSA-N
MW599.08 g/mol
LogP5.06
Rot. Bonds10

About N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 23122540) has the molecular formula C27H30ClF3N4O4S and a molecular weight of 599.08 g/mol. Its IUPAC name is N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID23122540
Molecular FormulaC27H30ClF3N4O4S
Molecular Weight599.08 g/mol
Exact Mass598.16
IUPAC NameN-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CCOc1cc(COc2nc3c(cc2NS(=O)(=O)c2ccccc2C(F)(F)F)CN(C)CC3)ccc1Cl
InChIInChI=1S/C27H30ClF3N4O4S/c1-34(2)12-13-38-24-14-18(8-9-21(24)28)17-39-26-23(15-19-16-35(3)11-10-22(19)32-26)33-40(36,37)25-7-5-4-6-20(25)27(29,30)31/h4-9,14-15,33H,10-13,16-17H2,1-3H3
InChIKeyFWVRKOUIRAMGIW-UHFFFAOYSA-N
XLogP5.06
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.08
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 23122540) is N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is CN(C)CCOc1cc(COc2nc3c(cc2NS(=O)(=O)c2ccccc2C(F)(F)F)CN(C)CC3)ccc1Cl.
What is the InChIKey of N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FWVRKOUIRAMGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF3N4O4S/c1-34(2)12-13-38-24-14-18(8-9-21(24)28)17-39-26-23(15-19-16-35(3)11-10-22(19)32-26)33-40(36,37)25-7-5-4-6-20(25)27(29,30)31/h4-9,14-15,33H,10-13,16-17H2,1-3H3.
What are the key properties of N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 599.08 g/mol, XLogP of 5.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23122540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).