2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid

C9H10F2N2O4S — CID 114805982

IUPAC2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
SMILESCCNS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C9H10F2N2O4S/c1-2-12-18(16,17)13-8-4-7(11)6(10)3-5(8)9(14)15/h3-4,12-13H,2H2,1H3,(H,14,15)
InChIKeyONRRFLFCUZBBJW-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.93
Rot. Bonds5

About 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid

2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid (PubChem CID 114805982) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
PubChem CID114805982
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Name2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
SMILESCCNS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)O
InChIInChI=1S/C9H10F2N2O4S/c1-2-12-18(16,17)13-8-4-7(11)6(10)3-5(8)9(14)15/h3-4,12-13H,2H2,1H3,(H,14,15)
InChIKeyONRRFLFCUZBBJW-UHFFFAOYSA-N
XLogP0.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
4,5-difluoro-2-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63245135
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
4,5-difluoro-2-hydrazinylbenzoic acid
CID 83235980
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4,5-difluorobenzoic acid
CID 62865745
2-(2,2-dimethylbutanoylamino)-4,5-difluorobenzoic acid
CID 62867491
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114814358
4-fluoro-2-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114805323
2-(ethylsulfamoylamino)-5-fluorobenzenecarbothioamide
CID 114808511

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid?
The IUPAC name of 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid (CID 114805982) is 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid.
What is the SMILES notation for 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid?
The canonical SMILES for 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid is CCNS(=O)(=O)Nc1cc(F)c(F)cc1C(=O)O.
What is the InChIKey of 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid?
The InChIKey is ONRRFLFCUZBBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c1-2-12-18(16,17)13-8-4-7(11)6(10)3-5(8)9(14)15/h3-4,12-13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid?
2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid has a molecular weight of 280.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid is sourced from PubChem (CID 114805982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).