1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid

C12H10FNO5S — CID 134561922

IUPAC1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C12H10FNO5S/c13-8-1-2-9-7(5-8)6-10(19-9)20(17,18)14-12(3-4-12)11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyHEJDMCVYRSKXGO-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.47
Rot. Bonds4

About 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid

1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid (PubChem CID 134561922) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid
PubChem CID134561922
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C12H10FNO5S/c13-8-1-2-9-7(5-8)6-10(19-9)20(17,18)14-12(3-4-12)11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyHEJDMCVYRSKXGO-UHFFFAOYSA-N
XLogP1.47
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 134561904
1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]-N-[[5-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-yl]methyl]cyclopropane-1-carboxamide
CID 134561906
2-[(5-fluoro-1-benzofuran-2-yl)sulfonyl-methylamino]acetic acid
CID 122693538
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837
5-fluoro-N-[1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cycloheptyl]-1-benzofuran-2-sulfonamide
CID 154877587
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
CID 114725249
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837
N-(5-fluoro-2-hydroxyphenyl)-1-benzofuran-2-sulfonamide
CID 86779062
(5-fluoro-1-benzofuran-2-yl) hydrogen carbonate
CID 69363266
1-(1-benzofuran-2-ylsulfonylamino)-N-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 134561900

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid (CID 134561922) is 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
The InChIKey is HEJDMCVYRSKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c13-8-1-2-9-7(5-8)6-10(19-9)20(17,18)14-12(3-4-12)11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16).
What are the key properties of 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid?
1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1-benzofuran-2-yl)sulfonylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134561922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).