4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide

C14H9Cl2F2NO4S — CID 66667432

IUPAC4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H9Cl2F2NO4S/c1-24(21,22)19-14(20)7-5-10(18)12(6-9(7)17)23-11-4-2-3-8(15)13(11)16/h2-6H,1H3,(H,19,20)
InChIKeyYSDKPXKXUINEQG-UHFFFAOYSA-N
MW396.20 g/mol
LogP3.75
Rot. Bonds4

About 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide

4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (PubChem CID 66667432) has the molecular formula C14H9Cl2F2NO4S and a molecular weight of 396.20 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
PubChem CID66667432
Molecular FormulaC14H9Cl2F2NO4S
Molecular Weight396.20 g/mol
Exact Mass394.96
IUPAC Name4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H9Cl2F2NO4S/c1-24(21,22)19-14(20)7-5-10(18)12(6-9(7)17)23-11-4-2-3-8(15)13(11)16/h2-6H,1H3,(H,19,20)
InChIKeyYSDKPXKXUINEQG-UHFFFAOYSA-N
XLogP3.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66766760
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
CID 66667368
4-[5-chloro-6-(3-chloro-2-methylphenoxy)-3-pyridinyl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
CID 91884603
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
2-chloro-1-N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-fluoro-4-N-methylsulfonylbenzene-1,4-dicarboxamide
CID 155174188
4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
CID 91809358
4-(1-adamantylmethoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 91809327

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (CID 66667432) is 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The InChIKey is YSDKPXKXUINEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO4S/c1-24(21,22)19-14(20)7-5-10(18)12(6-9(7)17)23-11-4-2-3-8(15)13(11)16/h2-6H,1H3,(H,19,20).
What are the key properties of 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide has a molecular weight of 396.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 66667432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).