2-(ethylsulfamoyl)benzoic acid

C9H11NO4S — CID 18725198

IUPAC2-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-10-15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeyYYOJQGJHQWBTCW-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.68
Rot. Bonds4

About 2-(ethylsulfamoyl)benzoic acid

2-(ethylsulfamoyl)benzoic acid (PubChem CID 18725198) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(ethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-(ethylsulfamoyl)benzoic acid
PubChem CID18725198
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-10-15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKeyYYOJQGJHQWBTCW-UHFFFAOYSA-N
XLogP0.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
2-(fluorosulfamoyl)benzoic acid
CID 87516154
2-[(4-fluorophenyl)methylsulfamoyl]benzoic acid
CID 110823533
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
N-ethyl-2-iodobenzenesulfonamide
CID 626580
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
2-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263319
3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(acetylcarbamoylcarbamoylcarbamoylsulfamoyl)benzoic acid
CID 101030339
3-(cyanomethylsulfamoyl)-2-methylbenzoic acid
CID 63743988

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyl)benzoic acid?
The IUPAC name of 2-(ethylsulfamoyl)benzoic acid (CID 18725198) is 2-(ethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-(ethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-(ethylsulfamoyl)benzoic acid is CCNS(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(ethylsulfamoyl)benzoic acid?
The InChIKey is YYOJQGJHQWBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-10-15(13,14)8-6-4-3-5-7(8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12).
What are the key properties of 2-(ethylsulfamoyl)benzoic acid?
2-(ethylsulfamoyl)benzoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyl)benzoic acid is sourced from PubChem (CID 18725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).