3-fluoro-N-methyl-2-sulfanylbenzamide

C8H8FNOS — CID 175999607

IUPAC3-fluoro-N-methyl-2-sulfanylbenzamide
SMILESCNC(=O)c1cccc(F)c1S
InChIInChI=1S/C8H8FNOS/c1-10-8(11)5-3-2-4-6(9)7(5)12/h2-4,12H,1H3,(H,10,11)
InChIKeyMQMMCTKROKIPBS-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.47
Rot. Bonds1

About 3-fluoro-N-methyl-2-sulfanylbenzamide

3-fluoro-N-methyl-2-sulfanylbenzamide (PubChem CID 175999607) has the molecular formula C8H8FNOS and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-sulfanylbenzamide
PubChem CID175999607
Molecular FormulaC8H8FNOS
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC Name3-fluoro-N-methyl-2-sulfanylbenzamide
SMILESCNC(=O)c1cccc(F)c1S
InChIInChI=1S/C8H8FNOS/c1-10-8(11)5-3-2-4-6(9)7(5)12/h2-4,12H,1H3,(H,10,11)
InChIKeyMQMMCTKROKIPBS-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.47
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

ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
trifluoro-[2-fluoro-3-(methylcarbamoyl)phenyl]boranuide
CID 91659200
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
CID 145062937
3-fluoro-2-(furan-2-yl)-N-methylbenzamide
CID 168527432
3-fluoro-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 156722490
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
CID 168595257
ethane;N,2,3-trimethylbenzamide
CID 178108869
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-sulfanylbenzamide?
The IUPAC name of 3-fluoro-N-methyl-2-sulfanylbenzamide (CID 175999607) is 3-fluoro-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for 3-fluoro-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for 3-fluoro-N-methyl-2-sulfanylbenzamide is CNC(=O)c1cccc(F)c1S.
What is the InChIKey of 3-fluoro-N-methyl-2-sulfanylbenzamide?
The InChIKey is MQMMCTKROKIPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNOS/c1-10-8(11)5-3-2-4-6(9)7(5)12/h2-4,12H,1H3,(H,10,11).
What are the key properties of 3-fluoro-N-methyl-2-sulfanylbenzamide?
3-fluoro-N-methyl-2-sulfanylbenzamide has a molecular weight of 185.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 175999607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).