N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide

C14H14FNO3S — CID 54039623

IUPACN-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CO)ccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-8-11(9-17)2-7-14(10)20(18,19)16-13-5-3-12(15)4-6-13/h2-8,16-17H,9H2,1H3
InChIKeyLLKNSYUVHBKRMG-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.43
Rot. Bonds4

About N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide

N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 54039623) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID54039623
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC NameN-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1cc(CO)ccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-10-8-11(9-17)2-7-14(10)20(18,19)16-13-5-3-12(15)4-6-13/h2-8,16-17H,9H2,1H3
InChIKeyLLKNSYUVHBKRMG-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 54039623) is N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1cc(CO)ccc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is LLKNSYUVHBKRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-8-11(9-17)2-7-14(10)20(18,19)16-13-5-3-12(15)4-6-13/h2-8,16-17H,9H2,1H3.
What are the key properties of N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide?
N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 54039623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).