4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride

C13H16ClNO4S — CID 61272579

IUPAC4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)cc1)C1CCOC1
InChIInChI=1S/C13H16ClNO4S/c14-20(17,18)12-3-1-10(2-4-12)5-7-15-13(16)11-6-8-19-9-11/h1-4,11H,5-9H2,(H,15,16)
InChIKeyQKSGVFVYQIQGLL-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.31
Rot. Bonds5

About 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride

4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride (PubChem CID 61272579) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
PubChem CID61272579
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)cc1)C1CCOC1
InChIInChI=1S/C13H16ClNO4S/c14-20(17,18)12-3-1-10(2-4-12)5-7-15-13(16)11-6-8-19-9-11/h1-4,11H,5-9H2,(H,15,16)
InChIKeyQKSGVFVYQIQGLL-UHFFFAOYSA-N
XLogP1.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxane-3-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63011176
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
(3S)-N-[2-(2-phenylethylsulfonyl)ethyl]oxolane-3-carboxamide
CID 100734487
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154116463
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
1-acetyl-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 108736634
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 30125962
(3S)-N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]oxane-3-carboxamide
CID 164629625

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride (CID 61272579) is 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)cc1)C1CCOC1.
What is the InChIKey of 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride?
The InChIKey is QKSGVFVYQIQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-20(17,18)12-3-1-10(2-4-12)5-7-15-13(16)11-6-8-19-9-11/h1-4,11H,5-9H2,(H,15,16).
What are the key properties of 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride?
4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride has a molecular weight of 317.79 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolane-3-carbonylamino)ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 61272579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).