1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride

C13H10ClN3O2S — CID 82911409

IUPAC1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C13H10ClN3O2S/c14-20(18,19)13-8-17(9-16-13)7-10-5-6-15-12-4-2-1-3-11(10)12/h1-6,8-9H,7H2
InChIKeyBFICEHRONPVRSY-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.41
Rot. Bonds3

About 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride

1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride (PubChem CID 82911409) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
PubChem CID82911409
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C13H10ClN3O2S/c14-20(18,19)13-8-17(9-16-13)7-10-5-6-15-12-4-2-1-3-11(10)12/h1-6,8-9H,7H2
InChIKeyBFICEHRONPVRSY-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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Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride (CID 82911409) is 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cn(Cc2ccnc3ccccc23)cn1.
What is the InChIKey of 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride?
The InChIKey is BFICEHRONPVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-20(18,19)13-8-17(9-16-13)7-10-5-6-15-12-4-2-1-3-11(10)12/h1-6,8-9H,7H2.
What are the key properties of 1-(quinolin-4-ylmethyl)imidazole-4-sulfonyl chloride?
1-(quinolin-4-ylmethyl)imidazole-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-4-ylmethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 82911409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).