N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

C14H14FNO3S — CID 975471

IUPACN-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C14H14FNO3S/c1-10-8-13(6-7-14(10)19-2)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3
InChIKeyBNRLEJDVPSLXNY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide

N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 975471) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID975471
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC NameN-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C14H14FNO3S/c1-10-8-13(6-7-14(10)19-2)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3
InChIKeyBNRLEJDVPSLXNY-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
N-(3-fluoro-2-methylphenyl)-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919375
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683
Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(4-methoxyphenyl)-
CID 10473251
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 341399

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide (CID 975471) is N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C.
What is the InChIKey of N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is BNRLEJDVPSLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-8-13(6-7-14(10)19-2)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 975471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).