2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide

C15H12Cl2FNOS — CID 1201721

IUPAC2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-19(2)15(20)11-8-10(18)4-6-13(11)21-14-7-9(16)3-5-12(14)17/h3-8H,1-2H3
InChIKeyYWWHWGKKDXFPNZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.99
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide

2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide (PubChem CID 1201721) has the molecular formula C15H12Cl2FNOS and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
PubChem CID1201721
Molecular FormulaC15H12Cl2FNOS
Molecular Weight344.24 g/mol
Exact Mass343.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H12Cl2FNOS/c1-19(2)15(20)11-8-10(18)4-6-13(11)21-14-7-9(16)3-5-12(14)17/h3-8H,1-2H3
InChIKeyYWWHWGKKDXFPNZ-UHFFFAOYSA-N
XLogP4.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 54120443
2-(2-carboxy-5-chlorophenyl)sulfanyl-5-fluorobenzoic acid
CID 69044270
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
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 54513652
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
N-[[4-(2,5-dichlorophenyl)sulfanyl-3-fluorophenyl]methyl]ethanamine
CID 63805067
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide (CID 1201721) is 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(F)ccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
The InChIKey is YWWHWGKKDXFPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNOS/c1-19(2)15(20)11-8-10(18)4-6-13(11)21-14-7-9(16)3-5-12(14)17/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide?
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide has a molecular weight of 344.24 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 1201721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).