4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C17H20FNO2S — CID 26027770

IUPAC4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)15-6-4-14(5-7-15)12-19(3)22(20,21)17-10-8-16(18)9-11-17/h4-11,13H,12H2,1-3H3
InChIKeyKQJFGBWZPUBRNN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.77
Rot. Bonds5

About 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 26027770) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID26027770
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)15-6-4-14(5-7-15)12-19(3)22(20,21)17-10-8-16(18)9-11-17/h4-11,13H,12H2,1-3H3
InChIKeyKQJFGBWZPUBRNN-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 61362253
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
sodium 2-[4-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]phenyl]-N-oxidoacetamide
CID 146061374
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[1-(4-fluorophenyl)ethyl-methylamino]acetamide
CID 46663203

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 26027770) is 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is CC(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is KQJFGBWZPUBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13(2)15-6-4-14(5-7-15)12-19(3)22(20,21)17-10-8-16(18)9-11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 26027770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).