N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide

C10H13FN2O3S — CID 126541767

IUPACN-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide
SMILESCc1c(NC(=O)CF)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H13FN2O3S/c1-6-7(2)9(17(12,15)16)4-3-8(6)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyOFQALWBHLREINP-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.86
Rot. Bonds3

About N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide

N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide (PubChem CID 126541767) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide
PubChem CID126541767
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC NameN-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide
SMILESCc1c(NC(=O)CF)ccc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H13FN2O3S/c1-6-7(2)9(17(12,15)16)4-3-8(6)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyOFQALWBHLREINP-UHFFFAOYSA-N
XLogP0.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide?
The IUPAC name of N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide (CID 126541767) is N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide.
What is the SMILES notation for N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide?
The canonical SMILES for N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide is Cc1c(NC(=O)CF)ccc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide?
The InChIKey is OFQALWBHLREINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-6-7(2)9(17(12,15)16)4-3-8(6)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide?
N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide has a molecular weight of 260.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-sulfamoylphenyl)-2-fluoroacetamide is sourced from PubChem (CID 126541767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).