4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide

C19H16N4O2S — CID 118660675

IUPAC4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(S(N)(=O)=O)cc34)cc2)cn1
InChIInChI=1S/C19H16N4O2S/c1-23-12-16(10-22-23)13-2-4-14(5-3-13)19-11-21-9-15-6-7-17(8-18(15)19)26(20,24)25/h2-12H,1H3,(H2,20,24,25)
InChIKeyVGQVYKSVLZIXPH-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.95
Rot. Bonds3

About 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide

4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide (PubChem CID 118660675) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide
PubChem CID118660675
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide
SMILESCn1cc(-c2ccc(-c3cncc4ccc(S(N)(=O)=O)cc34)cc2)cn1
InChIInChI=1S/C19H16N4O2S/c1-23-12-16(10-22-23)13-2-4-14(5-3-13)19-11-21-9-15-6-7-17(8-18(15)19)26(20,24)25/h2-12H,1H3,(H2,20,24,25)
InChIKeyVGQVYKSVLZIXPH-UHFFFAOYSA-N
XLogP2.95
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide (CID 118660675) is 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide is Cn1cc(-c2ccc(-c3cncc4ccc(S(N)(=O)=O)cc34)cc2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide?
The InChIKey is VGQVYKSVLZIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-23-12-16(10-22-23)13-2-4-14(5-3-13)19-11-21-9-15-6-7-17(8-18(15)19)26(20,24)25/h2-12H,1H3,(H2,20,24,25).
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide?
4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinoline-6-sulfonamide is sourced from PubChem (CID 118660675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).