2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone

C15H15ClO3S2 — CID 103291135

IUPAC2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C15H15ClO3S2/c1-2-12-7-8-15(20-12)14(17)10-21(18,19)9-11-5-3-4-6-13(11)16/h3-8H,2,9-10H2,1H3
InChIKeyGZKHYNGUZOTXQD-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.76
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone

2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 103291135) has the molecular formula C15H15ClO3S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID103291135
Molecular FormulaC15H15ClO3S2
Molecular Weight342.87 g/mol
Exact Mass342.02
IUPAC Name2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)Cc2ccccc2Cl)s1
InChIInChI=1S/C15H15ClO3S2/c1-2-12-7-8-15(20-12)14(17)10-21(18,19)9-11-5-3-4-6-13(11)16/h3-8H,2,9-10H2,1H3
InChIKeyGZKHYNGUZOTXQD-UHFFFAOYSA-N
XLogP3.76
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfonylacetate
CID 116688127
2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64642580
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
(3-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanone
CID 81265163
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone (CID 103291135) is 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CS(=O)(=O)Cc2ccccc2Cl)s1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is GZKHYNGUZOTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S2/c1-2-12-7-8-15(20-12)14(17)10-21(18,19)9-11-5-3-4-6-13(11)16/h3-8H,2,9-10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone?
2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 342.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfonyl]-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 103291135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).