N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide

C15H16FNO3S — CID 935345

IUPACN-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-14(16)15(9-13)20-3/h4-9,17H,1-3H3
InChIKeyNXCITKANNBRDQE-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 935345) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID935345
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C15H16FNO3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-14(16)15(9-13)20-3/h4-9,17H,1-3H3
InChIKeyNXCITKANNBRDQE-UHFFFAOYSA-N
XLogP3.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 935345) is N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1F.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is NXCITKANNBRDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-6-11(2)8-12(7-10)17-21(18,19)13-4-5-14(16)15(9-13)20-3/h4-9,17H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 935345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).