4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

C17H15N5O2S — CID 164987207

IUPAC4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(ncc3cnn(Cc4ccc(S(N)(=O)=O)cc4)c32)n1
InChIInChI=1S/C17H15N5O2S/c1-11-2-7-15-16-13(8-19-17(15)21-11)9-20-22(16)10-12-3-5-14(6-4-12)25(18,23)24/h2-9H,10H2,1H3,(H2,18,23,24)
InChIKeyQMHWGIRJCQUKDB-UHFFFAOYSA-N
MW353.41 g/mol
LogP1.98
Rot. Bonds3

About 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide

4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (PubChem CID 164987207) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
PubChem CID164987207
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide
SMILESCc1ccc2c(ncc3cnn(Cc4ccc(S(N)(=O)=O)cc4)c32)n1
InChIInChI=1S/C17H15N5O2S/c1-11-2-7-15-16-13(8-19-17(15)21-11)9-20-22(16)10-12-3-5-14(6-4-12)25(18,23)24/h2-9H,10H2,1H3,(H2,18,23,24)
InChIKeyQMHWGIRJCQUKDB-UHFFFAOYSA-N
XLogP1.98
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide (CID 164987207) is 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is Cc1ccc2c(ncc3cnn(Cc4ccc(S(N)(=O)=O)cc4)c32)n1.
What is the InChIKey of 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
The InChIKey is QMHWGIRJCQUKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-2-7-15-16-13(8-19-17(15)21-11)9-20-22(16)10-12-3-5-14(6-4-12)25(18,23)24/h2-9H,10H2,1H3,(H2,18,23,24).
What are the key properties of 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide?
4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylpyrazolo[4,3-c][1,8]naphthyridin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 164987207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).