4-(2-fluoro-4-methylanilino)benzenesulfonamide

C13H13FN2O2S — CID 70908209

IUPAC4-(2-fluoro-4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2ccc(S(N)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-2-7-13(12(14)8-9)16-10-3-5-11(6-4-10)19(15,17)18/h2-8,16H,1H3,(H2,15,17,18)
InChIKeySTOVFVMOEFQKKC-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.53
Rot. Bonds3

About 4-(2-fluoro-4-methylanilino)benzenesulfonamide

4-(2-fluoro-4-methylanilino)benzenesulfonamide (PubChem CID 70908209) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)benzenesulfonamide
PubChem CID70908209
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-(2-fluoro-4-methylanilino)benzenesulfonamide
SMILESCc1ccc(Nc2ccc(S(N)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-2-7-13(12(14)8-9)16-10-3-5-11(6-4-10)19(15,17)18/h2-8,16H,1H3,(H2,15,17,18)
InChIKeySTOVFVMOEFQKKC-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)benzenesulfonamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)benzenesulfonamide (CID 70908209) is 4-(2-fluoro-4-methylanilino)benzenesulfonamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)benzenesulfonamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)benzenesulfonamide is Cc1ccc(Nc2ccc(S(N)(=O)=O)cc2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)benzenesulfonamide?
The InChIKey is STOVFVMOEFQKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-2-7-13(12(14)8-9)16-10-3-5-11(6-4-10)19(15,17)18/h2-8,16H,1H3,(H2,15,17,18).
What are the key properties of 4-(2-fluoro-4-methylanilino)benzenesulfonamide?
4-(2-fluoro-4-methylanilino)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)benzenesulfonamide is sourced from PubChem (CID 70908209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).