2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid

C11H14FNO4S — CID 165485905

IUPAC2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
SMILESCCN(c1ccc(F)cc1C(=O)O)S(=O)(=O)CC
InChIInChI=1S/C11H14FNO4S/c1-3-13(18(16,17)4-2)10-6-5-8(12)7-9(10)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyXLSYUSIIUYYWII-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.70
Rot. Bonds5

About 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid

2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid (PubChem CID 165485905) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
PubChem CID165485905
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
SMILESCCN(c1ccc(F)cc1C(=O)O)S(=O)(=O)CC
InChIInChI=1S/C11H14FNO4S/c1-3-13(18(16,17)4-2)10-6-5-8(12)7-9(10)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyXLSYUSIIUYYWII-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(propyl)amino]-5-fluorobenzoic acid
CID 43313053
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 61446574
2-amino-N-(2,4-difluorophenyl)-N-ethylethanesulfonamide
CID 28794316
5-fluoro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 55010527
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-5-fluorobenzoic acid
CID 54989181
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
2-(diethylamino)-5-[(2,5-difluorophenyl)sulfonylamino]benzoic acid
CID 50766693
2-[bis(cyanomethyl)amino]-5-fluorobenzoic acid
CID 43312964
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-[[cyclopropyl(ethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289445
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-fluorobenzoic acid
CID 55010433

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid (CID 165485905) is 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid is CCN(c1ccc(F)cc1C(=O)O)S(=O)(=O)CC.
What is the InChIKey of 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid?
The InChIKey is XLSYUSIIUYYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-3-13(18(16,17)4-2)10-6-5-8(12)7-9(10)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid?
2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 165485905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).