2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide

C12H11Cl2NO4S — CID 136520718

IUPAC2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)COC2)C1CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2NO4S/c13-12(14)4-10(12)11(16)15-20(17,18)9-2-1-7-5-19-6-8(7)3-9/h1-3,10H,4-6H2,(H,15,16)
InChIKeyZTQBXGYJCZPDMG-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.72
Rot. Bonds3

About 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide

2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 136520718) has the molecular formula C12H11Cl2NO4S and a molecular weight of 336.20 g/mol. Its IUPAC name is 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
PubChem CID136520718
Molecular FormulaC12H11Cl2NO4S
Molecular Weight336.20 g/mol
Exact Mass334.98
IUPAC Name2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)COC2)C1CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2NO4S/c13-12(14)4-10(12)11(16)15-20(17,18)9-2-1-7-5-19-6-8(7)3-9/h1-3,10H,4-6H2,(H,15,16)
InChIKeyZTQBXGYJCZPDMG-UHFFFAOYSA-N
XLogP1.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95971121
N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 146131876
N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 136520716
N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 136528429
N-(4-aminocyclohexyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide
CID 119475337
N-(2-amino-1-cyclopropylethyl)-2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetamide;hydrochloride
CID 119613784
2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide
CID 78895747
(2S)-1-[2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365630
2,2-dichloro-N-[(6-fluoro-4-methyl-3-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 167757637
N-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 119543527
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
(1R,6S)-6-(3,4-dihydro-1H-isochromen-7-ylsulfonylamino)cyclohex-3-ene-1-carboxylic acid
CID 166290515

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide (CID 136520718) is 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)c1ccc2c(c1)COC2)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is ZTQBXGYJCZPDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO4S/c13-12(14)4-10(12)11(16)15-20(17,18)9-2-1-7-5-19-6-8(7)3-9/h1-3,10H,4-6H2,(H,15,16).
What are the key properties of 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 336.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136520718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).