4-fluoro-N,3,5-trimethylbenzenesulfonamide

C9H12FNO2S — CID 130161057

IUPAC4-fluoro-N,3,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C9H12FNO2S/c1-6-4-8(14(12,13)11-3)5-7(2)9(6)10/h4-5,11H,1-3H3
InChIKeyBZHXILRFIVXXPG-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.35
Rot. Bonds2

About 4-fluoro-N,3,5-trimethylbenzenesulfonamide

4-fluoro-N,3,5-trimethylbenzenesulfonamide (PubChem CID 130161057) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-fluoro-N,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3,5-trimethylbenzenesulfonamide
PubChem CID130161057
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name4-fluoro-N,3,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C9H12FNO2S/c1-6-4-8(14(12,13)11-3)5-7(2)9(6)10/h4-5,11H,1-3H3
InChIKeyBZHXILRFIVXXPG-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N,3,5-trimethylbenzenesulfonamide (CID 130161057) is 4-fluoro-N,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3,5-trimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 4-fluoro-N,3,5-trimethylbenzenesulfonamide?
The InChIKey is BZHXILRFIVXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-6-4-8(14(12,13)11-3)5-7(2)9(6)10/h4-5,11H,1-3H3.
What are the key properties of 4-fluoro-N,3,5-trimethylbenzenesulfonamide?
4-fluoro-N,3,5-trimethylbenzenesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 130161057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).