2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide

C14H11F2NOS — CID 107021333

IUPAC2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H11F2NOS/c1-8-6-9(15)2-5-13(8)17-14(18)11-7-10(19)3-4-12(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyWZIRAVGJTQARLS-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.81
Rot. Bonds2

About 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide

2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide (PubChem CID 107021333) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
PubChem CID107021333
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H11F2NOS/c1-8-6-9(15)2-5-13(8)17-14(18)11-7-10(19)3-4-12(11)16/h2-7,19H,1H3,(H,17,18)
InChIKeyWZIRAVGJTQARLS-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.81
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

N-(2,4-dimethylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107020951
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107590334
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
4-[(2,5-difluorobenzoyl)amino]-3-methyl-N-propan-2-ylbenzamide
CID 86821558
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide (CID 107021333) is 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide is Cc1cc(F)ccc1NC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide?
The InChIKey is WZIRAVGJTQARLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-8-6-9(15)2-5-13(8)17-14(18)11-7-10(19)3-4-12(11)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide?
2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluoro-2-methylphenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107021333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).