1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide

C15H17N5O2S — CID 155381241

IUPAC1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cnn(C)c3)c2n1
InChIInChI=1S/C15H17N5O2S/c1-16-8-12-7-6-11-4-3-5-14(15(11)18-12)19-23(21,22)13-9-17-20(2)10-13/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeyVENLORKPTJUAQT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.49
Rot. Bonds5

About 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide

1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide (PubChem CID 155381241) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
PubChem CID155381241
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide
SMILESCNCc1ccc2cccc(NS(=O)(=O)c3cnn(C)c3)c2n1
InChIInChI=1S/C15H17N5O2S/c1-16-8-12-7-6-11-4-3-5-14(15(11)18-12)19-23(21,22)13-9-17-20(2)10-13/h3-7,9-10,16,19H,8H2,1-2H3
InChIKeyVENLORKPTJUAQT-UHFFFAOYSA-N
XLogP1.49
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide (CID 155381241) is 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide is CNCc1ccc2cccc(NS(=O)(=O)c3cnn(C)c3)c2n1.
What is the InChIKey of 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide?
The InChIKey is VENLORKPTJUAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-16-8-12-7-6-11-4-3-5-14(15(11)18-12)19-23(21,22)13-9-17-20(2)10-13/h3-7,9-10,16,19H,8H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylaminomethyl)quinolin-8-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 155381241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).