3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid

C10H12F2N2O4S — CID 67052501

IUPAC3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
SMILESCCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H12F2N2O4S/c1-3-14(2)19(17,18)13-7-5-4-6(11)8(9(7)12)10(15)16/h4-5,13H,3H2,1-2H3,(H,15,16)
InChIKeyXJRLQJPCZXBTRK-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.27
Rot. Bonds5

About 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid

3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid (PubChem CID 67052501) has the molecular formula C10H12F2N2O4S and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid.

Molecular Properties

Compound Name3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
PubChem CID67052501
Molecular FormulaC10H12F2N2O4S
Molecular Weight294.28 g/mol
Exact Mass294.05
IUPAC Name3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid
SMILESCCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C10H12F2N2O4S/c1-3-14(2)19(17,18)13-7-5-4-6(11)8(9(7)12)10(15)16/h4-5,13H,3H2,1-2H3,(H,15,16)
InChIKeyXJRLQJPCZXBTRK-UHFFFAOYSA-N
XLogP1.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid?
The IUPAC name of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid (CID 67052501) is 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid.
What is the SMILES notation for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid?
The canonical SMILES for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid is CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid?
The InChIKey is XJRLQJPCZXBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O4S/c1-3-14(2)19(17,18)13-7-5-4-6(11)8(9(7)12)10(15)16/h4-5,13H,3H2,1-2H3,(H,15,16).
What are the key properties of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid?
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid has a molecular weight of 294.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoic acid is sourced from PubChem (CID 67052501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).