4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene

C17H25FO3S — CID 58218288

IUPAC4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene
SMILESCCCCS(=O)(=O)C[C@H](C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H25FO3S/c1-3-4-9-22(19,20)12-13(2)15-7-8-16(18)17(10-15)21-11-14-5-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAVESLUCPLQXRRE-ZDUSSCGKSA-N
MW328.45 g/mol
LogP3.93
Rot. Bonds9

About 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene

4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene (PubChem CID 58218288) has the molecular formula C17H25FO3S and a molecular weight of 328.45 g/mol. Its IUPAC name is 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene
PubChem CID58218288
Molecular FormulaC17H25FO3S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene
SMILESCCCCS(=O)(=O)C[C@H](C)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C17H25FO3S/c1-3-4-9-22(19,20)12-13(2)15-7-8-16(18)17(10-15)21-11-14-5-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyAVESLUCPLQXRRE-ZDUSSCGKSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene?
The IUPAC name of 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene (CID 58218288) is 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene.
What is the SMILES notation for 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene?
The canonical SMILES for 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene is CCCCS(=O)(=O)C[C@H](C)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene?
The InChIKey is AVESLUCPLQXRRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25FO3S/c1-3-4-9-22(19,20)12-13(2)15-7-8-16(18)17(10-15)21-11-14-5-6-14/h7-8,10,13-14H,3-6,9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene?
4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene has a molecular weight of 328.45 g/mol, XLogP of 3.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-butylsulfonylpropan-2-yl]-2-(cyclopropylmethoxy)-1-fluorobenzene is sourced from PubChem (CID 58218288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).