N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide

C16H18FNO3S — CID 154926301

IUPACN-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCC(CO)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(11-19)16(13-7-9-14(17)10-8-13)18-22(20,21)15-5-3-2-4-6-15/h2-10,12,16,18-19H,11H2,1H3
InChIKeyLFIFVVMPTVKTDJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.47
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide

N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide (PubChem CID 154926301) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide
PubChem CID154926301
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide
SMILESCC(CO)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(11-19)16(13-7-9-14(17)10-8-13)18-22(20,21)15-5-3-2-4-6-15/h2-10,12,16,18-19H,11H2,1H3
InChIKeyLFIFVVMPTVKTDJ-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide (CID 154926301) is N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide is CC(CO)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
The InChIKey is LFIFVVMPTVKTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12(11-19)16(13-7-9-14(17)10-8-13)18-22(20,21)15-5-3-2-4-6-15/h2-10,12,16,18-19H,11H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide?
N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-hydroxy-2-methylpropyl]benzenesulfonamide is sourced from PubChem (CID 154926301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).