2-(4-methoxyphenyl)sulfonyl-1-phenylethanone

C15H14O4S — CID 10334404

IUPAC2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-19-13-7-9-14(10-8-13)20(17,18)11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYQDRUNLVRYYCFQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone

2-(4-methoxyphenyl)sulfonyl-1-phenylethanone (PubChem CID 10334404) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
PubChem CID10334404
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
SMILESCOc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H14O4S/c1-19-13-7-9-14(10-8-13)20(17,18)11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYQDRUNLVRYYCFQ-UHFFFAOYSA-N
XLogP2.35
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-1-(3-nitrophenyl)ethanone
CID 70940154
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)sulfonylethanone
CID 135020171
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 102266574
2-(4-nitrophenyl)sulfonyl-1-phenylethanone
CID 11088058
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone (CID 10334404) is 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone is COc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone?
The InChIKey is YQDRUNLVRYYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-13-7-9-14(10-8-13)20(17,18)11-15(16)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone?
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone has a molecular weight of 290.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 10334404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).