3-butylimidazole-4-sulfonyl chloride

C7H11ClN2O2S — CID 15100270

IUPAC3-butylimidazole-4-sulfonyl chloride
SMILESCCCCn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-2-3-4-10-6-9-5-7(10)13(8,11)12/h5-6H,2-4H2,1H3
InChIKeyPZSPAVRKOYAYKK-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.61
Rot. Bonds4

About 3-butylimidazole-4-sulfonyl chloride

3-butylimidazole-4-sulfonyl chloride (PubChem CID 15100270) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-butylimidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-butylimidazole-4-sulfonyl chloride
PubChem CID15100270
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name3-butylimidazole-4-sulfonyl chloride
SMILESCCCCn1cncc1S(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-2-3-4-10-6-9-5-7(10)13(8,11)12/h5-6H,2-4H2,1H3
InChIKeyPZSPAVRKOYAYKK-UHFFFAOYSA-N
XLogP1.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butylimidazole-4-sulfonyl chloride?
The IUPAC name of 3-butylimidazole-4-sulfonyl chloride (CID 15100270) is 3-butylimidazole-4-sulfonyl chloride.
What is the SMILES notation for 3-butylimidazole-4-sulfonyl chloride?
The canonical SMILES for 3-butylimidazole-4-sulfonyl chloride is CCCCn1cncc1S(=O)(=O)Cl.
What is the InChIKey of 3-butylimidazole-4-sulfonyl chloride?
The InChIKey is PZSPAVRKOYAYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-2-3-4-10-6-9-5-7(10)13(8,11)12/h5-6H,2-4H2,1H3.
What are the key properties of 3-butylimidazole-4-sulfonyl chloride?
3-butylimidazole-4-sulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylimidazole-4-sulfonyl chloride is sourced from PubChem (CID 15100270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).