[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone

C21H17FO4S — CID 58477563

IUPAC[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(F)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17FO4S/c1-26-18-9-11-19(12-10-18)27(24,25)14-16-7-8-17(22)13-20(16)21(23)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyYQERTYGTDCQSSA-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.04
Rot. Bonds6

About [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone

[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone (PubChem CID 58477563) has the molecular formula C21H17FO4S and a molecular weight of 384.43 g/mol. Its IUPAC name is [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone
PubChem CID58477563
Molecular FormulaC21H17FO4S
Molecular Weight384.43 g/mol
Exact Mass384.08
IUPAC Name[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(F)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17FO4S/c1-26-18-9-11-19(12-10-18)27(24,25)14-16-7-8-17(22)13-20(16)21(23)15-5-3-2-4-6-15/h2-13H,14H2,1H3
InChIKeyYQERTYGTDCQSSA-UHFFFAOYSA-N
XLogP4.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-Methoxy-2-(phenylsulfonyl)acetophenone
CID 4271571
1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
Methanone, (4-(4-(methylsulfonyl)phenoxy)phenyl)phenyl-
CID 514878
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
(E)-2-(4-fluorophenyl)sulfanyl-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 24957424
4H-1-Benzothiopyran-4-one, 2,3-dihydro-3-((4-methoxyphenyl)methylene)-, 1,1-dioxide, (Z)-
CID 6449208
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
CID 2884084
1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 2888409
1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 3552700
(E)-3-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934099
(Z)-3-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934100
(E)-3-[2,5-dimethoxy-4-(2-methylsulfonylphenyl)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 166633450

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone?
The IUPAC name of [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone (CID 58477563) is [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone.
What is the SMILES notation for [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone?
The canonical SMILES for [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone is COc1ccc(S(=O)(=O)Cc2ccc(F)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone?
The InChIKey is YQERTYGTDCQSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO4S/c1-26-18-9-11-19(12-10-18)27(24,25)14-16-7-8-17(22)13-20(16)21(23)15-5-3-2-4-6-15/h2-13H,14H2,1H3.
What are the key properties of [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone?
[5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone has a molecular weight of 384.43 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]-phenylmethanone is sourced from PubChem (CID 58477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).