2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide

C8H7ClFNOS — CID 173431644

IUPAC2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNOS/c9-5-2-1-4(3-6(5)10)7(13)8(11)12/h1-3,7,13H,(H2,11,12)
InChIKeyIVMQKHSKDWXYBB-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.94
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide

2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide (PubChem CID 173431644) has the molecular formula C8H7ClFNOS and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide
PubChem CID173431644
Molecular FormulaC8H7ClFNOS
Molecular Weight219.67 g/mol
Exact Mass218.99
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide
SMILESNC(=O)C(S)c1ccc(Cl)c(F)c1
InChIInChI=1S/C8H7ClFNOS/c9-5-2-1-4(3-6(5)10)7(13)8(11)12/h1-3,7,13H,(H2,11,12)
InChIKeyIVMQKHSKDWXYBB-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
tert-butyl N-[(1S)-2-amino-1-(4-chloro-3-fluorophenyl)-2-oxoethyl]carbamate
CID 178028591
5-amino-3-(4-chloro-3-fluorophenyl)hexan-2-one
CID 143606857
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(2S)-2-(4-chloro-3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 67518904
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide (CID 173431644) is 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide is NC(=O)C(S)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide?
The InChIKey is IVMQKHSKDWXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNOS/c9-5-2-1-4(3-6(5)10)7(13)8(11)12/h1-3,7,13H,(H2,11,12).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide?
2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide has a molecular weight of 219.67 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 173431644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).