5-acetamido-2-(ethylsulfamoylamino)benzoic acid

C11H15N3O5S — CID 114805338

IUPAC5-acetamido-2-(ethylsulfamoylamino)benzoic acid
SMILESCCNS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-3-12-20(18,19)14-10-5-4-8(13-7(2)15)6-9(10)11(16)17/h4-6,12,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHFPOZUSCQGPMLQ-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.61
Rot. Bonds6

About 5-acetamido-2-(ethylsulfamoylamino)benzoic acid

5-acetamido-2-(ethylsulfamoylamino)benzoic acid (PubChem CID 114805338) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-acetamido-2-(ethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-acetamido-2-(ethylsulfamoylamino)benzoic acid
PubChem CID114805338
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name5-acetamido-2-(ethylsulfamoylamino)benzoic acid
SMILESCCNS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-3-12-20(18,19)14-10-5-4-8(13-7(2)15)6-9(10)11(16)17/h4-6,12,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyHFPOZUSCQGPMLQ-UHFFFAOYSA-N
XLogP0.61
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
CID 114805982
5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
CID 24705583
2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
5-acetamido-2-[3-(ethylamino)propanoylamino]benzoic acid
CID 62836110
2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid
CID 3753672
5-acetamido-2-(but-3-ynoylamino)benzoic acid
CID 114028463
5-acetamido-2-(prop-2-enoylamino)benzoic acid
CID 24696899
1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
CID 110612637
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
CID 3020564

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(ethylsulfamoylamino)benzoic acid?
The IUPAC name of 5-acetamido-2-(ethylsulfamoylamino)benzoic acid (CID 114805338) is 5-acetamido-2-(ethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 5-acetamido-2-(ethylsulfamoylamino)benzoic acid?
The canonical SMILES for 5-acetamido-2-(ethylsulfamoylamino)benzoic acid is CCNS(=O)(=O)Nc1ccc(NC(C)=O)cc1C(=O)O.
What is the InChIKey of 5-acetamido-2-(ethylsulfamoylamino)benzoic acid?
The InChIKey is HFPOZUSCQGPMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-3-12-20(18,19)14-10-5-4-8(13-7(2)15)6-9(10)11(16)17/h4-6,12,14H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-acetamido-2-(ethylsulfamoylamino)benzoic acid?
5-acetamido-2-(ethylsulfamoylamino)benzoic acid has a molecular weight of 301.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(ethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114805338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).