N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide

C18H22FNO3S — CID 169371660

IUPACN-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(C)(C)C)cc1
InChIInChI=1S/C18H22FNO3S/c1-13-5-8-15(9-6-13)24(21,22)20-16-11-14(19)7-10-17(16)23-12-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyQQFSIQUUYFSIGE-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.36
Rot. Bonds5

About N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide

N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide (PubChem CID 169371660) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
PubChem CID169371660
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(C)(C)C)cc1
InChIInChI=1S/C18H22FNO3S/c1-13-5-8-15(9-6-13)24(21,22)20-16-11-14(19)7-10-17(16)23-12-18(2,3)4/h5-11,20H,12H2,1-4H3
InChIKeyQQFSIQUUYFSIGE-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
1-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24656677
N-(2-ethynyl-5-fluorophenyl)-4-methylbenzenesulfonamide
CID 169225905
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-[3-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]-4-methylphenyl]acetamide
CID 24656690
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
4-fluoro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 46535021
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide (CID 169371660) is N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(C)(C)C)cc1.
What is the InChIKey of N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide?
The InChIKey is QQFSIQUUYFSIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c1-13-5-8-15(9-6-13)24(21,22)20-16-11-14(19)7-10-17(16)23-12-18(2,3)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide?
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide has a molecular weight of 351.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).