3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride

C13H15ClO3S — CID 82378293

IUPAC3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H15ClO3S/c1-4-9-11-7-5-6-10(8(2)3)12(11)17-13(9)18(14,15)16/h5-8H,4H2,1-3H3
InChIKeyBHRQZHPSZWAMMR-UHFFFAOYSA-N
MW286.78 g/mol
LogP4.05
Rot. Bonds3

About 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride

3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride (PubChem CID 82378293) has the molecular formula C13H15ClO3S and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
PubChem CID82378293
Molecular FormulaC13H15ClO3S
Molecular Weight286.78 g/mol
Exact Mass286.04
IUPAC Name3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
SMILESCCc1c(S(=O)(=O)Cl)oc2c(C(C)C)cccc12
InChIInChI=1S/C13H15ClO3S/c1-4-9-11-7-5-6-10(8(2)3)12(11)17-13(9)18(14,15)16/h5-8H,4H2,1-3H3
InChIKeyBHRQZHPSZWAMMR-UHFFFAOYSA-N
XLogP4.05
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
(2-methoxy-3-propan-2-ylphenyl)methanesulfonyl chloride
CID 84710902
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride?
The IUPAC name of 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride (CID 82378293) is 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride.
What is the SMILES notation for 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride?
The canonical SMILES for 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride is CCc1c(S(=O)(=O)Cl)oc2c(C(C)C)cccc12.
What is the InChIKey of 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride?
The InChIKey is BHRQZHPSZWAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3S/c1-4-9-11-7-5-6-10(8(2)3)12(11)17-13(9)18(14,15)16/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride?
3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride has a molecular weight of 286.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride is sourced from PubChem (CID 82378293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).