N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide

C15H16FNO3S — CID 81265120

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H16FNO3S/c1-11(9-12-5-7-13(16)8-6-12)17-21(19,20)15-4-2-3-14(18)10-15/h2-8,10-11,17-18H,9H2,1H3
InChIKeyIIGDULFKQDXJND-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide

N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide (PubChem CID 81265120) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
PubChem CID81265120
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide
SMILESCC(Cc1ccc(F)cc1)NS(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C15H16FNO3S/c1-11(9-12-5-7-13(16)8-6-12)17-21(19,20)15-4-2-3-14(18)10-15/h2-8,10-11,17-18H,9H2,1H3
InChIKeyIIGDULFKQDXJND-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
CID 97250225
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide (CID 81265120) is N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide is CC(Cc1ccc(F)cc1)NS(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide?
The InChIKey is IIGDULFKQDXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11(9-12-5-7-13(16)8-6-12)17-21(19,20)15-4-2-3-14(18)10-15/h2-8,10-11,17-18H,9H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide?
N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 81265120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).