N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide

C8H8FNOS — CID 168653675

IUPACN-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide
SMILESCc1cc(S)c(NC=O)cc1F
InChIInChI=1S/C8H8FNOS/c1-5-2-8(12)7(10-4-11)3-6(5)9/h2-4,12H,1H3,(H,10,11)
InChIKeySRILDFSEWGLXPE-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.99
Rot. Bonds2

About N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide

N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide (PubChem CID 168653675) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide.

Molecular Properties

Compound NameN-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide
PubChem CID168653675
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC NameN-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide
SMILESCc1cc(S)c(NC=O)cc1F
InChIInChI=1S/C8H8FNOS/c1-5-2-8(12)7(10-4-11)3-6(5)9/h2-4,12H,1H3,(H,10,11)
InChIKeySRILDFSEWGLXPE-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide?
The IUPAC name of N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide (CID 168653675) is N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide.
What is the SMILES notation for N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide?
The canonical SMILES for N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide is Cc1cc(S)c(NC=O)cc1F.
What is the InChIKey of N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide?
The InChIKey is SRILDFSEWGLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c1-5-2-8(12)7(10-4-11)3-6(5)9/h2-4,12H,1H3,(H,10,11).
What are the key properties of N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide?
N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide has a molecular weight of 185.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methyl-2-sulfanylphenyl)formamide is sourced from PubChem (CID 168653675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).