4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide

C14H13F2NO3S — CID 110776614

IUPAC4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H13F2NO3S/c1-9-7-10(15)4-6-14(9)21(18,19)17-12-8-11(16)3-5-13(12)20-2/h3-8,17H,1-2H3
InChIKeyFEKAPUSIXSCFLH-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.08
Rot. Bonds4

About 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide

4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 110776614) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID110776614
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H13F2NO3S/c1-9-7-10(15)4-6-14(9)21(18,19)17-12-8-11(16)3-5-13(12)20-2/h3-8,17H,1-2H3
InChIKeyFEKAPUSIXSCFLH-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 100691399
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 71903150
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 8523503
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569608
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide (CID 110776614) is 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is FEKAPUSIXSCFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-7-10(15)4-6-14(9)21(18,19)17-12-8-11(16)3-5-13(12)20-2/h3-8,17H,1-2H3.
What are the key properties of 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide?
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110776614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).