2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid

C11H14F2N2O4S — CID 61455459

IUPAC2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C11H14F2N2O4S/c1-6(2)15(3)20(18,19)14-10-4-7(11(16)17)8(12)5-9(10)13/h4-6,14H,1-3H3,(H,16,17)
InChIKeyWRDJIEUACMPWIB-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.66
Rot. Bonds5

About 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid

2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid (PubChem CID 61455459) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
PubChem CID61455459
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C11H14F2N2O4S/c1-6(2)15(3)20(18,19)14-10-4-7(11(16)17)8(12)5-9(10)13/h4-6,14H,1-3H3,(H,16,17)
InChIKeyWRDJIEUACMPWIB-UHFFFAOYSA-N
XLogP1.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[[methyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 61183363
2,4-difluoro-5-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629535
3-[3-fluoro-4-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]prop-2-enoic acid
CID 76906743
5-(2-chloroethylsulfonylamino)-2,4-difluorobenzoic acid
CID 107651242
5-chloro-2-methoxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455915
2,4-difluoro-5-(prop-2-enylsulfonylamino)benzoic acid
CID 79672480
5-(ethylamino)-2,4-difluorobenzoic acid
CID 43737186
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
2,4-difluoro-5-[[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylamino]benzoic acid
CID 166350219
2,4-difluoro-5-[1-(1-methylcyclopropyl)ethylamino]benzoic acid
CID 43737134
3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid
CID 61455802
5-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2,4-difluorobenzoic acid
CID 63228759

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid (CID 61455459) is 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid is CC(C)N(C)S(=O)(=O)Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid?
The InChIKey is WRDJIEUACMPWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-6(2)15(3)20(18,19)14-10-4-7(11(16)17)8(12)5-9(10)13/h4-6,14H,1-3H3,(H,16,17).
What are the key properties of 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid?
2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[methyl(propan-2-yl)sulfamoyl]amino]benzoic acid is sourced from PubChem (CID 61455459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).