2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride

C10H17ClN2O4S2 — CID 106728499

IUPAC2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H17ClN2O4S2/c1-4-9-12-10(19(11,16)17)7-13(9)5-6-18(14,15)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNLRWLVLJUVATMR-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.20
Rot. Bonds6

About 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride (PubChem CID 106728499) has the molecular formula C10H17ClN2O4S2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
PubChem CID106728499
Molecular FormulaC10H17ClN2O4S2
Molecular Weight328.84 g/mol
Exact Mass328.03
IUPAC Name2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H17ClN2O4S2/c1-4-9-12-10(19(11,16)17)7-13(9)5-6-18(14,15)8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyNLRWLVLJUVATMR-UHFFFAOYSA-N
XLogP1.20
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride (CID 106728499) is 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCS(=O)(=O)C(C)C.
What is the InChIKey of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride?
The InChIKey is NLRWLVLJUVATMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O4S2/c1-4-9-12-10(19(11,16)17)7-13(9)5-6-18(14,15)8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride has a molecular weight of 328.84 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propan-2-ylsulfonylethyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 106728499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).