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

C15H10F2N2O4S — CID 66766760

IUPAC4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(C#N)c2)cc1F
InChIInChI=1S/C15H10F2N2O4S/c1-24(21,22)19-15(20)11-6-13(17)14(7-12(11)16)23-10-4-2-3-9(5-10)8-18/h2-7H,1H3,(H,19,20)
InChIKeyGOXQKZKKXFXOGP-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.32
Rot. Bonds4

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

4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (PubChem CID 66766760) has the molecular formula C15H10F2N2O4S and a molecular weight of 352.32 g/mol. Its IUPAC name is 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
PubChem CID66766760
Molecular FormulaC15H10F2N2O4S
Molecular Weight352.32 g/mol
Exact Mass352.03
IUPAC Name4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(C#N)c2)cc1F
InChIInChI=1S/C15H10F2N2O4S/c1-24(21,22)19-15(20)11-6-13(17)14(7-12(11)16)23-10-4-2-3-9(5-10)8-18/h2-7H,1H3,(H,19,20)
InChIKeyGOXQKZKKXFXOGP-UHFFFAOYSA-N
XLogP2.32
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
CID 66667368
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372254
3-(2-amino-5-fluoro-4-iodophenoxy)benzonitrile
CID 66102313
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (CID 66766760) is 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(C#N)c2)cc1F.
What is the InChIKey of 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The InChIKey is GOXQKZKKXFXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4S/c1-24(21,22)19-15(20)11-6-13(17)14(7-12(11)16)23-10-4-2-3-9(5-10)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide has a molecular weight of 352.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 66766760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).