N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide

C14H12FNOS — CID 107027760

IUPACN-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
SMILESCN(C(=O)c1ccccc1S)c1ccccc1F
InChIInChI=1S/C14H12FNOS/c1-16(12-8-4-3-7-11(12)15)14(17)10-6-2-5-9-13(10)18/h2-9,18H,1H3
InChIKeyZZABUTAOFVAORG-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.39
Rot. Bonds2

About N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide

N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide (PubChem CID 107027760) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
PubChem CID107027760
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC NameN-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
SMILESCN(C(=O)c1ccccc1S)c1ccccc1F
InChIInChI=1S/C14H12FNOS/c1-16(12-8-4-3-7-11(12)15)14(17)10-6-2-5-9-13(10)18/h2-9,18H,1H3
InChIKeyZZABUTAOFVAORG-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
5-chloro-N-(2-fluorophenyl)-2-iodo-N-methylbenzamide
CID 113230081
N-(2-fluorophenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703878
5-amino-2-bromo-4-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 62815620
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119
2-amino-N-(2-fluorophenyl)-N-methyl-5-nitrobenzamide
CID 62161761
3,5-difluoro-N-(2-fluorophenyl)-N-methyl-4-(methylamino)benzamide
CID 63185745
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027756

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide (CID 107027760) is N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide is CN(C(=O)c1ccccc1S)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide?
The InChIKey is ZZABUTAOFVAORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-16(12-8-4-3-7-11(12)15)14(17)10-6-2-5-9-13(10)18/h2-9,18H,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide?
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 107027760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).