(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate

C14H19ClO4S2 — CID 65397741

IUPAC(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCC1CCCCC1OC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C14H19ClO4S2/c1-2-10-5-3-4-6-12(10)19-13(16)9-11-7-8-14(20-11)21(15,17)18/h7-8,10,12H,2-6,9H2,1H3
InChIKeyPBQUMWITAGTHOU-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.73
Rot. Bonds5

About (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate

(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate (PubChem CID 65397741) has the molecular formula C14H19ClO4S2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
PubChem CID65397741
Molecular FormulaC14H19ClO4S2
Molecular Weight350.89 g/mol
Exact Mass350.04
IUPAC Name(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
SMILESCCC1CCCCC1OC(=O)Cc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C14H19ClO4S2/c1-2-10-5-3-4-6-12(10)19-13(16)9-11-7-8-14(20-11)21(15,17)18/h7-8,10,12H,2-6,9H2,1H3
InChIKeyPBQUMWITAGTHOU-UHFFFAOYSA-N
XLogP3.73
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65373367
(3-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375705
cyclopropylmethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65396177
propyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65395765
(2-ethylcyclohexyl) 2-(4-sulfanylphenyl)acetate
CID 107018370
5-[2-(3,4-dimethoxypyrrolidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 103540932
2-propoxyethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 65375313
(2-ethylcyclohexyl) 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65397739
5-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 102970887
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
(2-ethylcyclohexyl) 2-phenylsulfanylacetate
CID 533053

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The IUPAC name of (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate (CID 65397741) is (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The canonical SMILES for (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate is CCC1CCCCC1OC(=O)Cc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate?
The InChIKey is PBQUMWITAGTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4S2/c1-2-10-5-3-4-6-12(10)19-13(16)9-11-7-8-14(20-11)21(15,17)18/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate?
(2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate has a molecular weight of 350.89 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-(5-chlorosulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 65397741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).