(1-propylimidazol-2-yl)methanesulfonyl chloride

C7H11ClN2O2S — CID 79761559

IUPAC(1-propylimidazol-2-yl)methanesulfonyl chloride
SMILESCCCn1ccnc1CS(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-2-4-10-5-3-9-7(10)6-13(8,11)12/h3,5H,2,4,6H2,1H3
InChIKeyARYXLSFTTMCDMK-UHFFFAOYSA-N
MW222.70 g/mol
LogP1.36
Rot. Bonds4

About (1-propylimidazol-2-yl)methanesulfonyl chloride

(1-propylimidazol-2-yl)methanesulfonyl chloride (PubChem CID 79761559) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)methanesulfonyl chloride
PubChem CID79761559
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name(1-propylimidazol-2-yl)methanesulfonyl chloride
SMILESCCCn1ccnc1CS(=O)(=O)Cl
InChIInChI=1S/C7H11ClN2O2S/c1-2-4-10-5-3-9-7(10)6-13(8,11)12/h3,5H,2,4,6H2,1H3
InChIKeyARYXLSFTTMCDMK-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
2-chloro-1-propylimidazole
CID 142765750
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
1-methyl-3-[(1-propylimidazol-2-yl)methylamino]pyrrolidin-2-one
CID 114164351
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865

Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)methanesulfonyl chloride?
The IUPAC name of (1-propylimidazol-2-yl)methanesulfonyl chloride (CID 79761559) is (1-propylimidazol-2-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-propylimidazol-2-yl)methanesulfonyl chloride?
The canonical SMILES for (1-propylimidazol-2-yl)methanesulfonyl chloride is CCCn1ccnc1CS(=O)(=O)Cl.
What is the InChIKey of (1-propylimidazol-2-yl)methanesulfonyl chloride?
The InChIKey is ARYXLSFTTMCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c1-2-4-10-5-3-9-7(10)6-13(8,11)12/h3,5H,2,4,6H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)methanesulfonyl chloride?
(1-propylimidazol-2-yl)methanesulfonyl chloride has a molecular weight of 222.70 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)methanesulfonyl chloride is sourced from PubChem (CID 79761559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).