3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide

C10H11F3N2O4S — CID 66769966

IUPAC3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H11F3N2O4S/c1-19-8-6(9(14)16)3-5(10(11,12)13)4-7(8)15-20(2,17)18/h3-4,15H,1-2H3,(H2,14,16)
InChIKeyYIRIUWGVOIMHEU-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.18
Rot. Bonds4

About 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide

3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide (PubChem CID 66769966) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide
PubChem CID66769966
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide
SMILESCOc1c(NS(C)(=O)=O)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H11F3N2O4S/c1-19-8-6(9(14)16)3-5(10(11,12)13)4-7(8)15-20(2,17)18/h3-4,15H,1-2H3,(H2,14,16)
InChIKeyYIRIUWGVOIMHEU-UHFFFAOYSA-N
XLogP1.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide (CID 66769966) is 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide is COc1c(NS(C)(=O)=O)cc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide?
The InChIKey is YIRIUWGVOIMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c1-19-8-6(9(14)16)3-5(10(11,12)13)4-7(8)15-20(2,17)18/h3-4,15H,1-2H3,(H2,14,16).
What are the key properties of 3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide?
3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)benzamide has a molecular weight of 312.27 g/mol, XLogP of 1.18, 4 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-(trifluoromethyl)benzamide is sourced from PubChem (CID 66769966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).