3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide

C11H11F5N2O4S — CID 87142197

IUPAC3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(F)(F)C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H11F5N2O4S/c1-22-8-6(9(17)19)3-5(10(12,13)11(14,15)16)4-7(8)18-23(2,20)21/h3-4,18H,1-2H3,(H2,17,19)
InChIKeyMDISOSSSGUCNIO-UHFFFAOYSA-N
MW362.28 g/mol
LogP1.82
Rot. Bonds5

About 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide

3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide (PubChem CID 87142197) has the molecular formula C11H11F5N2O4S and a molecular weight of 362.28 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide
PubChem CID87142197
Molecular FormulaC11H11F5N2O4S
Molecular Weight362.28 g/mol
Exact Mass362.04
IUPAC Name3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(F)(F)C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C11H11F5N2O4S/c1-22-8-6(9(17)19)3-5(10(12,13)11(14,15)16)4-7(8)18-23(2,20)21/h3-4,18H,1-2H3,(H2,17,19)
InChIKeyMDISOSSSGUCNIO-UHFFFAOYSA-N
XLogP1.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide (CID 87142197) is 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide is COc1c(NS(C)(=O)=O)cc(C(F)(F)C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide?
The InChIKey is MDISOSSSGUCNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O4S/c1-22-8-6(9(17)19)3-5(10(12,13)11(14,15)16)4-7(8)18-23(2,20)21/h3-4,18H,1-2H3,(H2,17,19).
What are the key properties of 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide?
3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide has a molecular weight of 362.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)benzamide is sourced from PubChem (CID 87142197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).