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

C16H18FNO3S — CID 850026

IUPACN-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-11(2)12-4-9-15(21-3)16(10-12)22(19,20)18-14-7-5-13(17)6-8-14/h4-11,18H,1-3H3
InChIKeyUTIYMZCKKLKTRO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.76
Rot. Bonds5

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

N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 850026) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID850026
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-11(2)12-4-9-15(21-3)16(10-12)22(19,20)18-14-7-5-13(17)6-8-14/h4-11,18H,1-3H3
InChIKeyUTIYMZCKKLKTRO-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 6456729
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 56816264
N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (CID 850026) is N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is UTIYMZCKKLKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-11(2)12-4-9-15(21-3)16(10-12)22(19,20)18-14-7-5-13(17)6-8-14/h4-11,18H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 850026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).