2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene

C19H23FO2S — CID 159128494

IUPAC2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1F
InChIInChI=1S/C19H23FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3
InChIKeyDWQIFGHIDRBZSS-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.24
Rot. Bonds6

About 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene

2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene (PubChem CID 159128494) has the molecular formula C19H23FO2S and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
PubChem CID159128494
Molecular FormulaC19H23FO2S
Molecular Weight334.46 g/mol
Exact Mass334.14
IUPAC Name2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1F
InChIInChI=1S/C19H23FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3
InChIKeyDWQIFGHIDRBZSS-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2-(trifluoromethoxy)benzene
CID 158134110
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
CID 159263769
4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole
CID 59546068
2-(3-fluoro-4-methylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
CID 58143982
methyl (3-fluoro-4-methylphenyl)methanesulfonate
CID 172702190
2-[(3-fluoro-4-methylphenyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067921
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
1-chloro-4-(3-fluoro-4-methylphenyl)butan-2-one
CID 134085975
4-[2-(3-fluoro-4-methylphenyl)ethyl]-1,2-dihydropyrazol-3-one
CID 90734279

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene (CID 159128494) is 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene?
The InChIKey is DWQIFGHIDRBZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO2S/c1-14(2)23(21,22)13-18-10-7-16(8-11-18)6-9-17-5-4-15(3)19(20)12-17/h4-5,7-8,10-12,14H,6,9,13H2,1-3H3.
What are the key properties of 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene?
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene has a molecular weight of 334.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 159128494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).