1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone

C12H14O4S — CID 64642343

IUPAC1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)C2CC2)cc1
InChIInChI=1S/C12H14O4S/c1-16-10-4-6-11(7-5-10)17(14,15)8-12(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyPIABYVATUOBQLD-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone

1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone (PubChem CID 64642343) has the molecular formula C12H14O4S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
PubChem CID64642343
Molecular FormulaC12H14O4S
Molecular Weight254.31 g/mol
Exact Mass254.06
IUPAC Name1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)C2CC2)cc1
InChIInChI=1S/C12H14O4S/c1-16-10-4-6-11(7-5-10)17(14,15)8-12(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKeyPIABYVATUOBQLD-UHFFFAOYSA-N
XLogP1.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
(3S)-3-(4-fluorophenyl)-1-[4-[(4-methoxyphenyl)sulfonylmethyl]cyclohexyl]butan-1-one
CID 58291969
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
CID 7082114
N-[(4-methoxyphenyl)sulfonylmethyl]cyclopropanamine
CID 117036414
methyl 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetate
CID 82165154
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
CID 135020171
2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992855
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone?
The IUPAC name of 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone (CID 64642343) is 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone is COc1ccc(S(=O)(=O)CC(=O)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone?
The InChIKey is PIABYVATUOBQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4S/c1-16-10-4-6-11(7-5-10)17(14,15)8-12(13)9-2-3-9/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone?
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone has a molecular weight of 254.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone is sourced from PubChem (CID 64642343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).