3-propylbenzenesulfonyl fluoride

C9H11FO2S — CID 153373581

IUPAC3-propylbenzenesulfonyl fluoride
SMILESCCCc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C9H11FO2S/c1-2-4-8-5-3-6-9(7-8)13(10,11)12/h3,5-7H,2,4H2,1H3
InChIKeySFEBZMYJCIHGKR-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.30
Rot. Bonds3

About 3-propylbenzenesulfonyl fluoride

3-propylbenzenesulfonyl fluoride (PubChem CID 153373581) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-propylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-propylbenzenesulfonyl fluoride
PubChem CID153373581
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name3-propylbenzenesulfonyl fluoride
SMILESCCCc1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C9H11FO2S/c1-2-4-8-5-3-6-9(7-8)13(10,11)12/h3,5-7H,2,4H2,1H3
InChIKeySFEBZMYJCIHGKR-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 3-propylbenzenesulfonate
CID 139720072
1-(3-propylphenyl)sulfonylpyrrolidine
CID 142264878
3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
CID 153373569
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
3-henicosylbenzenesulfonic acid
CID 101306236
3-nonacosylbenzenesulfonic acid
CID 101306363
3-nonylbenzenesulfonic acid
CID 14941614
sodium 3-octatetracontylbenzenesulfonate
CID 101306953
sodium 3-pentatriacontylbenzenesulfonate
CID 101306469
calcium bis(3-hexacosylbenzenesulfonate)
CID 101306313
potassium 3-hexadecylbenzenesulfonate
CID 23666632
magnesium bis(3-hentriacontylbenzenesulfonate)
CID 101306401

Frequently Asked Questions

What is the IUPAC name of 3-propylbenzenesulfonyl fluoride?
The IUPAC name of 3-propylbenzenesulfonyl fluoride (CID 153373581) is 3-propylbenzenesulfonyl fluoride.
What is the SMILES notation for 3-propylbenzenesulfonyl fluoride?
The canonical SMILES for 3-propylbenzenesulfonyl fluoride is CCCc1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-propylbenzenesulfonyl fluoride?
The InChIKey is SFEBZMYJCIHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-2-4-8-5-3-6-9(7-8)13(10,11)12/h3,5-7H,2,4H2,1H3.
What are the key properties of 3-propylbenzenesulfonyl fluoride?
3-propylbenzenesulfonyl fluoride has a molecular weight of 202.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylbenzenesulfonyl fluoride is sourced from PubChem (CID 153373581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).