2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide

C15H12F3NOS — CID 54120443

IUPAC2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NOS/c1-19(2)15(20)11-7-9(16)3-6-14(11)21-10-4-5-12(17)13(18)8-10/h3-8H,1-2H3
InChIKeyNNICTFUTFLIHBS-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.96
Rot. Bonds3

About 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide

2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide (PubChem CID 54120443) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
PubChem CID54120443
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NOS/c1-19(2)15(20)11-7-9(16)3-6-14(11)21-10-4-5-12(17)13(18)8-10/h3-8H,1-2H3
InChIKeyNNICTFUTFLIHBS-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 1201721
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 54513652
2-(4-fluoro-2-nitrophenyl)sulfanyl-5-hydroxy-N,N-dimethylbenzamide
CID 24750202
2-[4-(bromomethyl)-2-nitrophenyl]sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 24773723
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
2-(4-bromophenyl)sulfanyl-5-fluorobenzoic acid
CID 63675209
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzoic acid
CID 63083044
2-(3-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 63673346
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-(2-carboxy-5-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 69044270
4-(3,4-difluorophenyl)sulfanyl-3-methylbenzaldehyde
CID 63802374

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide (CID 54120443) is 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(F)ccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The InChIKey is NNICTFUTFLIHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c1-19(2)15(20)11-7-9(16)3-6-14(11)21-10-4-5-12(17)13(18)8-10/h3-8H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide has a molecular weight of 311.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 54120443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).