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

C25H27ClN4O4S — CID 23122575

IUPAC2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide
SMILESCN1CCc2nc(OCc3ccc4c(c3)OCCN4C)c(NS(=O)(=O)c3ccccc3Cl)cc2C1
InChIInChI=1S/C25H27ClN4O4S/c1-29-10-9-20-18(15-29)14-21(28-35(31,32)24-6-4-3-5-19(24)26)25(27-20)34-16-17-7-8-22-23(13-17)33-12-11-30(22)2/h3-8,13-14,28H,9-12,15-16H2,1-2H3
InChIKeyOLBARODEAGTKJO-UHFFFAOYSA-N
MW515.04 g/mol
LogP3.93
Rot. Bonds6

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

2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide (PubChem CID 23122575) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide
PubChem CID23122575
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC Name2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide
SMILESCN1CCc2nc(OCc3ccc4c(c3)OCCN4C)c(NS(=O)(=O)c3ccccc3Cl)cc2C1
InChIInChI=1S/C25H27ClN4O4S/c1-29-10-9-20-18(15-29)14-21(28-35(31,32)24-6-4-3-5-19(24)26)25(27-20)34-16-17-7-8-22-23(13-17)33-12-11-30(22)2/h3-8,13-14,28H,9-12,15-16H2,1-2H3
InChIKeyOLBARODEAGTKJO-UHFFFAOYSA-N
XLogP3.93
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide (CID 23122575) is 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide is CN1CCc2nc(OCc3ccc4c(c3)OCCN4C)c(NS(=O)(=O)c3ccccc3Cl)cc2C1.
What is the InChIKey of 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide?
The InChIKey is OLBARODEAGTKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c1-29-10-9-20-18(15-29)14-21(28-35(31,32)24-6-4-3-5-19(24)26)25(27-20)34-16-17-7-8-22-23(13-17)33-12-11-30(22)2/h3-8,13-14,28H,9-12,15-16H2,1-2H3.
What are the key properties of 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide?
2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide has a molecular weight of 515.04 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-methyl-2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23122575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).