N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide

C14H14FNO2S — CID 71091360

IUPACN-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide
SMILESCC(O)c1cccc(S(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO2S/c1-10(17)11-3-2-4-14(9-11)19(18)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3
InChIKeyZRHAEVCUZSYEST-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.01
Rot. Bonds4

About N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide

N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide (PubChem CID 71091360) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide
PubChem CID71091360
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide
SMILESCC(O)c1cccc(S(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H14FNO2S/c1-10(17)11-3-2-4-14(9-11)19(18)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3
InChIKeyZRHAEVCUZSYEST-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide?
The IUPAC name of N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide (CID 71091360) is N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide is CC(O)c1cccc(S(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide?
The InChIKey is ZRHAEVCUZSYEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10(17)11-3-2-4-14(9-11)19(18)16-13-7-5-12(15)6-8-13/h2-10,16-17H,1H3.
What are the key properties of N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide?
N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide has a molecular weight of 279.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfinamide is sourced from PubChem (CID 71091360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).