N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide

C16H16FNO3S — CID 110005569

IUPACN-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccc(CO)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c17-14-5-7-15(8-6-14)18-16(20)11-22(21)10-13-3-1-12(9-19)2-4-13/h1-8,19H,9-11H2,(H,18,20)
InChIKeySXVHCPYCZRLHRZ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.21
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide

N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide (PubChem CID 110005569) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
PubChem CID110005569
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
SMILESO=C(CS(=O)Cc1ccc(CO)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FNO3S/c17-14-5-7-15(8-6-14)18-16(20)11-22(21)10-13-3-1-12(9-19)2-4-13/h1-8,19H,9-11H2,(H,18,20)
InChIKeySXVHCPYCZRLHRZ-UHFFFAOYSA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344
3-[(4-tert-butylphenyl)methylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 47087807
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
N-benzyl-2-[(4-fluorophenyl)methylsulfinyl]acetamide
CID 123100558
4-[[2-[(4-cyanophenyl)methylsulfinyl]acetyl]amino]benzoic acid
CID 123119208
N-(2,5-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005608
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 42953973
2-bromo-N-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide (CID 110005569) is N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide is O=C(CS(=O)Cc1ccc(CO)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is SXVHCPYCZRLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-14-5-7-15(8-6-14)18-16(20)11-22(21)10-13-3-1-12(9-19)2-4-13/h1-8,19H,9-11H2,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide?
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 110005569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).