5-(1-methylpyrazol-4-yl)sulfonylquinoline

C13H11N3O2S — CID 135388000

IUPAC5-(1-methylpyrazol-4-yl)sulfonylquinoline
SMILESCn1cc(S(=O)(=O)c2cccc3ncccc23)cn1
InChIInChI=1S/C13H11N3O2S/c1-16-9-10(8-15-16)19(17,18)13-6-2-5-12-11(13)4-3-7-14-12/h2-9H,1H3
InChIKeyMRCNFPRUGAKWND-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.80
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)sulfonylquinoline

5-(1-methylpyrazol-4-yl)sulfonylquinoline (PubChem CID 135388000) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)sulfonylquinoline.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)sulfonylquinoline
PubChem CID135388000
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name5-(1-methylpyrazol-4-yl)sulfonylquinoline
SMILESCn1cc(S(=O)(=O)c2cccc3ncccc23)cn1
InChIInChI=1S/C13H11N3O2S/c1-16-9-10(8-15-16)19(17,18)13-6-2-5-12-11(13)4-3-7-14-12/h2-9H,1H3
InChIKeyMRCNFPRUGAKWND-UHFFFAOYSA-N
XLogP1.80
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
4-(benzenesulfonyl)quinoline
CID 170993168
3-methyl-1-quinolin-5-ylsulfonylazetidin-3-ol
CID 104773999
1-quinolin-5-ylsulfonylpiperidin-4-amine
CID 115752090
5-(4-bromopiperidin-1-yl)sulfonylquinoline
CID 104774213
3-methyl-1-quinolin-5-ylsulfonylpiperidin-4-one
CID 114500121
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
trans-(1R,2R)-N-methyl-2-(1-methylpyrazol-4-yl)-N-quinolin-5-ylcyclopropane-1-carboxamide
CID 126802871
1-methylpyrazole-4-sulfonyl bromide
CID 130493718
5-(1,4-diazepan-1-ylsulfonyl)quinoline;hydrochloride
CID 119963237

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)sulfonylquinoline?
The IUPAC name of 5-(1-methylpyrazol-4-yl)sulfonylquinoline (CID 135388000) is 5-(1-methylpyrazol-4-yl)sulfonylquinoline.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)sulfonylquinoline?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)sulfonylquinoline is Cn1cc(S(=O)(=O)c2cccc3ncccc23)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)sulfonylquinoline?
The InChIKey is MRCNFPRUGAKWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-16-9-10(8-15-16)19(17,18)13-6-2-5-12-11(13)4-3-7-14-12/h2-9H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)sulfonylquinoline?
5-(1-methylpyrazol-4-yl)sulfonylquinoline has a molecular weight of 273.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)sulfonylquinoline is sourced from PubChem (CID 135388000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).