1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride

C13H10ClN3O2S — CID 82913308

IUPAC1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C13H10ClN3O2S/c14-20(18,19)12-7-16-17(9-12)8-10-3-4-13-11(6-10)2-1-5-15-13/h1-7,9H,8H2
InChIKeyPQCRECUOUJWKRV-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.41
Rot. Bonds3

About 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride

1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride (PubChem CID 82913308) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride
PubChem CID82913308
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnn(Cc2ccc3ncccc3c2)c1
InChIInChI=1S/C13H10ClN3O2S/c14-20(18,19)12-7-16-17(9-12)8-10-3-4-13-11(6-10)2-1-5-15-13/h1-7,9H,8H2
InChIKeyPQCRECUOUJWKRV-UHFFFAOYSA-N
XLogP2.41
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanol
CID 81444006
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]cyclopropanesulfonamide
CID 154782396
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
6-chloro-5-iodo-3-(quinolin-6-ylmethyl)pyrimidin-4-one
CID 114583874
6-(2-chloroethyl)quinoline
CID 53404433

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride (CID 82913308) is 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cnn(Cc2ccc3ncccc3c2)c1.
What is the InChIKey of 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is PQCRECUOUJWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-20(18,19)12-7-16-17(9-12)8-10-3-4-13-11(6-10)2-1-5-15-13/h1-7,9H,8H2.
What are the key properties of 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride?
1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 307.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-6-ylmethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82913308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).