1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene

C15H14ClFO2S — CID 118331686

IUPAC1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F
InChIInChI=1S/C15H14ClFO2S/c1-3-10-5-4-6-12(15(10)17)13-9-11(20(2,18)19)7-8-14(13)16/h4-9H,3H2,1-2H3
InChIKeyMHJITFZKJPIOBH-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene

1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene (PubChem CID 118331686) has the molecular formula C15H14ClFO2S and a molecular weight of 312.79 g/mol. Its IUPAC name is 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene
PubChem CID118331686
Molecular FormulaC15H14ClFO2S
Molecular Weight312.79 g/mol
Exact Mass312.04
IUPAC Name1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene
SMILESCCc1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F
InChIInChI=1S/C15H14ClFO2S/c1-3-10-5-4-6-12(15(10)17)13-9-11(20(2,18)19)7-8-14(13)16/h4-9H,3H2,1-2H3
InChIKeyMHJITFZKJPIOBH-UHFFFAOYSA-N
XLogP4.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-(4-Chlorophenylsulfonyl)-2-methylpropyl)-1,4-difluorobenzene
CID 9906160
2-(1-(4-Chlorophenylsulfonyl)cyclohexyl)-1,4-difluorobenzene
CID 9929326
4-(4-Chloro-3-methylphenyl)-1,2-difluoro-5-[4-(methylsulfonyl)phenyl]benzene
CID 10572620
Rac-1-chloro-2-(4-(2-fluoropropan-2-yl)phenylsulfonyl)benzene
CID 11565865
1-{1-[(4-Chlorophenyl)sulfonyl]cyclohexyl}-2-fluorobenzene
CID 44400790
3-(4-Chloro-3-methylphenyl)-1,2-difluoro-4-(4-methylsulfonylphenyl)benzene
CID 44394128
1-{1-[(4-Chlorophenyl)sulfonyl]cyclohexyl}-3-fluorobenzene
CID 44400933
trans-1-(3-Allyl-1-(2,5-difluorophenyl)cyclohexylsulfonyl)-4-chlorobenzene
CID 44413653
cis-1-(3-Allyl-1-(2,5-difluorophenyl)cyclohexylsulfonyl)-4-chlorobenzene
CID 44413711
2-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene
CID 9901028
2-[1-(4-Chloro-benzenesulfonyl)-ethyl]-1,4-difluoro-benzene
CID 44400904
1,5-Dichloro-2-((3-fluorobenzyl)sulfonyl)-4-methylbenzene
CID 573044

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene?
The IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene (CID 118331686) is 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene.
What is the SMILES notation for 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene?
The canonical SMILES for 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene is CCc1cccc(-c2cc(S(C)(=O)=O)ccc2Cl)c1F.
What is the InChIKey of 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene?
The InChIKey is MHJITFZKJPIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2S/c1-3-10-5-4-6-12(15(10)17)13-9-11(20(2,18)19)7-8-14(13)16/h4-9H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene?
1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene has a molecular weight of 312.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylsulfonylphenyl)-3-ethyl-2-fluorobenzene is sourced from PubChem (CID 118331686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).