1-fluoro-2-(propylsulfonylmethyl)benzene

C10H13FO2S — CID 18337004

IUPAC1-fluoro-2-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C10H13FO2S/c1-2-7-14(12,13)8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyBXWOFZYZTPYADQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.15
Rot. Bonds4

About 1-fluoro-2-(propylsulfonylmethyl)benzene

1-fluoro-2-(propylsulfonylmethyl)benzene (PubChem CID 18337004) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-fluoro-2-(propylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(propylsulfonylmethyl)benzene
PubChem CID18337004
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name1-fluoro-2-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C10H13FO2S/c1-2-7-14(12,13)8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3
InChIKeyBXWOFZYZTPYADQ-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-2-(propylsulfonylmethyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
CID 18337029
N-cyclopropyl-3-[(2-fluorophenyl)methylsulfonyl]propanamide
CID 5057865
5-[2-[(2-fluorophenyl)methylsulfonyl]ethyl]-1-methylpyrazole
CID 167820754
azane;1-ethyl-2-fluorobenzene
CID 66657049
3-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylbutyl)propanamide
CID 5177297
2,6-difluoro-3-(propylsulfonylmethyl)benzoyl chloride
CID 158138968
2-ethyl-2-[(2-fluorophenyl)methylsulfonyl]butanoic acid
CID 82183265
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067596
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
[2-(octylsulfonylmethyl)phenyl]methanol
CID 167543191
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(propylsulfonylmethyl)benzene?
The IUPAC name of 1-fluoro-2-(propylsulfonylmethyl)benzene (CID 18337004) is 1-fluoro-2-(propylsulfonylmethyl)benzene.
What is the SMILES notation for 1-fluoro-2-(propylsulfonylmethyl)benzene?
The canonical SMILES for 1-fluoro-2-(propylsulfonylmethyl)benzene is CCCS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-fluoro-2-(propylsulfonylmethyl)benzene?
The InChIKey is BXWOFZYZTPYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-2-7-14(12,13)8-9-5-3-4-6-10(9)11/h3-6H,2,7-8H2,1H3.
What are the key properties of 1-fluoro-2-(propylsulfonylmethyl)benzene?
1-fluoro-2-(propylsulfonylmethyl)benzene has a molecular weight of 216.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(propylsulfonylmethyl)benzene is sourced from PubChem (CID 18337004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).