N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

C15H16FNO3S — CID 850027

IUPACN-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C15H16FNO3S/c1-10-11(2)15(9-8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyRTGOHEXAZRXGLG-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.25
Rot. Bonds4

About N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 850027) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID850027
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C
InChIInChI=1S/C15H16FNO3S/c1-10-11(2)15(9-8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3
InChIKeyRTGOHEXAZRXGLG-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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Related Compounds

N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 850025
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 935391
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 2237332

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 850027) is N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C.
What is the InChIKey of N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is RTGOHEXAZRXGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-11(2)15(9-8-14(10)20-3)21(18,19)17-13-6-4-12(16)5-7-13/h4-9,17H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide 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-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 850027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).