5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine

C16H13ClN4O2S — CID 24865068

IUPAC5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine
SMILESCC1c2cn[nH]c2-c2ccncc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2S/c1-10-14-8-19-20-16(14)13-6-7-18-9-15(13)21(10)24(22,23)12-4-2-11(17)3-5-12/h2-10H,1H3,(H,19,20)
InChIKeyIFSWJYDDFODZGS-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.39
Rot. Bonds2

About 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine

5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine (PubChem CID 24865068) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine
PubChem CID24865068
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine
SMILESCC1c2cn[nH]c2-c2ccncc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2S/c1-10-14-8-19-20-16(14)13-6-7-18-9-15(13)21(10)24(22,23)12-4-2-11(17)3-5-12/h2-10H,1H3,(H,19,20)
InChIKeyIFSWJYDDFODZGS-UHFFFAOYSA-N
XLogP3.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine (CID 24865068) is 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine is CC1c2cn[nH]c2-c2ccncc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine?
The InChIKey is IFSWJYDDFODZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-10-14-8-19-20-16(14)13-6-7-18-9-15(13)21(10)24(22,23)12-4-2-11(17)3-5-12/h2-10H,1H3,(H,19,20).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine?
5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine has a molecular weight of 360.83 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4-methyl-1,4-dihydropyrazolo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 24865068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).