5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride

C11H14ClNO4S2 — CID 43110787

IUPAC5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCO1
InChIInChI=1S/C11H14ClNO4S2/c12-19(15,16)10-4-3-8(18-10)5-6-13-11(14)9-2-1-7-17-9/h3-4,9H,1-2,5-7H2,(H,13,14)
InChIKeyMNGKAWLBPALGEF-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.51
Rot. Bonds5

About 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 43110787) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID43110787
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESO=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCO1
InChIInChI=1S/C11H14ClNO4S2/c12-19(15,16)10-4-3-8(18-10)5-6-13-11(14)9-2-1-7-17-9/h3-4,9H,1-2,5-7H2,(H,13,14)
InChIKeyMNGKAWLBPALGEF-UHFFFAOYSA-N
XLogP1.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(oxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 55047990
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
5-[2-[3-(oxolan-2-yl)propanoylamino]ethyl]thiophene-2-sulfonyl chloride
CID 65157400
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
5-[(1,4-dioxane-2-carbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 62799225
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
CID 110314737

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 43110787) is 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride is O=C(NCCc1ccc(S(=O)(=O)Cl)s1)C1CCCO1.
What is the InChIKey of 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is MNGKAWLBPALGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c12-19(15,16)10-4-3-8(18-10)5-6-13-11(14)9-2-1-7-17-9/h3-4,9H,1-2,5-7H2,(H,13,14).
What are the key properties of 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 323.82 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 43110787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).