4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide

C10H12FNOS — CID 154815653

IUPAC4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
SMILESCN(CCS)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3
InChIKeyPZXKCJSSRWHWDL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds3

About 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide

4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide (PubChem CID 154815653) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
PubChem CID154815653
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
SMILESCN(CCS)C(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3
InChIKeyPZXKCJSSRWHWDL-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide (CID 154815653) is 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide is CN(CCS)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The InChIKey is PZXKCJSSRWHWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-12(6-7-14)10(13)8-2-4-9(11)5-3-8/h2-5,14H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide has a molecular weight of 213.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide is sourced from PubChem (CID 154815653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).