N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide

C16H18FNO2S — CID 6456729

IUPACN-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-11(2)13-5-4-12(3)16(10-13)21(19,20)18-15-8-6-14(17)7-9-15/h4-11,18H,1-3H3
InChIKeyKGBLGFVUUCCHRE-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.06
Rot. Bonds4

About N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide

N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 6456729) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID6456729
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-11(2)13-5-4-12(3)16(10-13)21(19,20)18-15-8-6-14(17)7-9-15/h4-11,18H,1-3H3
InChIKeyKGBLGFVUUCCHRE-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 27536941
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 4025966

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide (CID 6456729) is N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide is Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is KGBLGFVUUCCHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-11(2)13-5-4-12(3)16(10-13)21(19,20)18-15-8-6-14(17)7-9-15/h4-11,18H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide?
N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 6456729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).