7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

C23H27N3O2S — CID 141383345

IUPAC7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESO=S(=O)(Cc1ccccc1)n1ccc2c3c(cnc21)CCCN3C1CCCCC1
InChIInChI=1S/C23H27N3O2S/c27-29(28,17-18-8-3-1-4-9-18)26-15-13-21-22-19(16-24-23(21)26)10-7-14-25(22)20-11-5-2-6-12-20/h1,3-4,8-9,13,15-16,20H,2,5-7,10-12,14,17H2
InChIKeyIPZQWKRGCDRSIC-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.50
Rot. Bonds4

About 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine

7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (PubChem CID 141383345) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.

Molecular Properties

Compound Name7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
PubChem CID141383345
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESO=S(=O)(Cc1ccccc1)n1ccc2c3c(cnc21)CCCN3C1CCCCC1
InChIInChI=1S/C23H27N3O2S/c27-29(28,17-18-8-3-1-4-9-18)26-15-13-21-22-19(16-24-23(21)26)10-7-14-25(22)20-11-5-2-6-12-20/h1,3-4,8-9,13,15-16,20H,2,5-7,10-12,14,17H2
InChIKeyIPZQWKRGCDRSIC-UHFFFAOYSA-N
XLogP4.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The IUPAC name of 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine (CID 141383345) is 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine.
What is the SMILES notation for 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The canonical SMILES for 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is O=S(=O)(Cc1ccccc1)n1ccc2c3c(cnc21)CCCN3C1CCCCC1.
What is the InChIKey of 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
The InChIKey is IPZQWKRGCDRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c27-29(28,17-18-8-3-1-4-9-18)26-15-13-21-22-19(16-24-23(21)26)10-7-14-25(22)20-11-5-2-6-12-20/h1,3-4,8-9,13,15-16,20H,2,5-7,10-12,14,17H2.
What are the key properties of 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine?
7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine has a molecular weight of 409.56 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylsulfonyl-1-cyclohexyl-3,4-dihydro-2H-pyrrolo[2,3-h][1,6]naphthyridine is sourced from PubChem (CID 141383345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).