3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

C14H16ClNO4S — CID 65367607

IUPAC3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=C(NC1CCCC1)C1COc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C14H16ClNO4S/c15-21(18,19)10-5-6-13-11(7-10)12(8-20-13)14(17)16-9-3-1-2-4-9/h5-7,9,12H,1-4,8H2,(H,16,17)
InChIKeyOEXCGRALFYPIFI-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.15
Rot. Bonds3

About 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (PubChem CID 65367607) has the molecular formula C14H16ClNO4S and a molecular weight of 329.81 g/mol. Its IUPAC name is 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
PubChem CID65367607
Molecular FormulaC14H16ClNO4S
Molecular Weight329.81 g/mol
Exact Mass329.05
IUPAC Name3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
SMILESO=C(NC1CCCC1)C1COc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C14H16ClNO4S/c15-21(18,19)10-5-6-13-11(7-10)12(8-20-13)14(17)16-9-3-1-2-4-9/h5-7,9,12H,1-4,8H2,(H,16,17)
InChIKeyOEXCGRALFYPIFI-UHFFFAOYSA-N
XLogP2.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367992
3-(propan-2-ylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65368604
3-(cyclobutylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372271
3-(cyclopropylmethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372959
3-(tert-butylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65370642
3-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 65372967
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
N-cyclobutyl-6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63850228
N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65375241
(3S)-6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 98119594

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The IUPAC name of 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride (CID 65367607) is 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is O=C(NC1CCCC1)C1COc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
The InChIKey is OEXCGRALFYPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S/c15-21(18,19)10-5-6-13-11(7-10)12(8-20-13)14(17)16-9-3-1-2-4-9/h5-7,9,12H,1-4,8H2,(H,16,17).
What are the key properties of 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride?
3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride has a molecular weight of 329.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylcarbamoyl)-2,3-dihydro-1-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 65367607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).