2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide

C10H14FNO2S — CID 70924275

IUPAC2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14FNO2S/c1-4-8-5-6-9(11)7-10(8)15(13,14)12(2)3/h5-7H,4H2,1-3H3
InChIKeyPQJSBSHENCAMQL-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.64
Rot. Bonds3

About 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide

2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 70924275) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID70924275
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H14FNO2S/c1-4-8-5-6-9(11)7-10(8)15(13,14)12(2)3/h5-7H,4H2,1-3H3
InChIKeyPQJSBSHENCAMQL-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide (CID 70924275) is 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide is CCc1ccc(F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is PQJSBSHENCAMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-4-8-5-6-9(11)7-10(8)15(13,14)12(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide?
2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 70924275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).