1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide

C13H12N4O2S — CID 47177602

IUPAC1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C13H12N4O2S/c1-17-9-11(8-15-17)20(18,19)16-12-6-2-4-10-5-3-7-14-13(10)12/h2-9,16H,1H3
InChIKeySVRIEKROKSMELF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.77
Rot. Bonds3

About 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide

1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide (PubChem CID 47177602) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide
PubChem CID47177602
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C13H12N4O2S/c1-17-9-11(8-15-17)20(18,19)16-12-6-2-4-10-5-3-7-14-13(10)12/h2-9,16H,1H3
InChIKeySVRIEKROKSMELF-UHFFFAOYSA-N
XLogP1.77
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide (CID 47177602) is 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cccc3cccnc23)cn1.
What is the InChIKey of 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
The InChIKey is SVRIEKROKSMELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-17-9-11(8-15-17)20(18,19)16-12-6-2-4-10-5-3-7-14-13(10)12/h2-9,16H,1H3.
What are the key properties of 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide?
1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-quinolin-8-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 47177602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).