2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride

C11H19ClN2O2S — CID 83160660

IUPAC2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCCC(C)C
InChIInChI=1S/C11H19ClN2O2S/c1-4-10-13-11(17(12,15)16)8-14(10)7-5-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKDLDKOPNMFAHEB-UHFFFAOYSA-N
MW278.81 g/mol
LogP2.81
Rot. Bonds6

About 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride

2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride (PubChem CID 83160660) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride
PubChem CID83160660
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.81 g/mol
Exact Mass278.09
IUPAC Name2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)cn1CCCC(C)C
InChIInChI=1S/C11H19ClN2O2S/c1-4-10-13-11(17(12,15)16)8-14(10)7-5-6-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyKDLDKOPNMFAHEB-UHFFFAOYSA-N
XLogP2.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dimethylimidazole-4-sulfonyl chloride
CID 2736256
1,2-dimethyl-1H-imidazole-5-sulfonyl chloride
CID 2736258
5H,6H,7H,8H-imidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 51063958
5H,6H,7H,8H-imidazo[1,2-a]pyridine-2-sulfonyl chloride
CID 71758052
1-methyl-2-(propan-2-yl)-1H-imidazole-5-sulfonyl chloride
CID 129980896
1-butan-2-yl-N,N-dimethylimidazole-4-sulfonamide
CID 71969893
2-(1,2-Dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
CID 71997293
1-ethyl-2-methyl-1H-imidazole-5-sulfonyl chloride
CID 50987958
1-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
CID 54595262
1-(2-methylpropyl)-1H-imidazole-4-sulfonyl chloride
CID 54595593
1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-4-sulfonyl chloride
CID 64151937
1H-Imidazole-4-sulfonamide, 1-(2-methylpropyl)-
CID 75356295

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride (CID 83160660) is 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)cn1CCCC(C)C.
What is the InChIKey of 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride?
The InChIKey is KDLDKOPNMFAHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S/c1-4-10-13-11(17(12,15)16)8-14(10)7-5-6-9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride?
2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride has a molecular weight of 278.81 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methylpentyl)imidazole-4-sulfonyl chloride is sourced from PubChem (CID 83160660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).