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

C14H14FNO3S — CID 60643138

IUPAC2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H14FNO3S/c1-16(11-7-9-12(19-2)10-8-11)20(17,18)14-6-4-3-5-13(14)15/h3-10H,1-2H3
InChIKeyHGELIYKXRLOVBM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.66
Rot. Bonds4

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

2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 60643138) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID60643138
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H14FNO3S/c1-16(11-7-9-12(19-2)10-8-11)20(17,18)14-6-4-3-5-13(14)15/h3-10H,1-2H3
InChIKeyHGELIYKXRLOVBM-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate
CID 26208288
3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103299968
N-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-2-fluoro-N-methylbenzenesulfonamide
CID 4539820
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N-cyclopentyl-2-[4-[(2-fluorophenyl)sulfonyl-methylamino]phenoxy]propanamide
CID 4883359
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593
2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004233
2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003855
N-benzyl-2,4-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 32681303
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 60643138) is 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is HGELIYKXRLOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-16(11-7-9-12(19-2)10-8-11)20(17,18)14-6-4-3-5-13(14)15/h3-10H,1-2H3.
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60643138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).