3-(ethylsulfamoyl)-4-methoxybenzoic acid

C10H13NO5S — CID 16768179

IUPAC3-(ethylsulfamoyl)-4-methoxybenzoic acid
SMILESCCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C10H13NO5S/c1-3-11-17(14,15)9-6-7(10(12)13)4-5-8(9)16-2/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKeyPLOXPMMCRRYOMT-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.69
Rot. Bonds5

About 3-(ethylsulfamoyl)-4-methoxybenzoic acid

3-(ethylsulfamoyl)-4-methoxybenzoic acid (PubChem CID 16768179) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-4-methoxybenzoic acid
PubChem CID16768179
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name3-(ethylsulfamoyl)-4-methoxybenzoic acid
SMILESCCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C10H13NO5S/c1-3-11-17(14,15)9-6-7(10(12)13)4-5-8(9)16-2/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKeyPLOXPMMCRRYOMT-UHFFFAOYSA-N
XLogP0.69
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 777275
4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
5-Acetyl-2-methoxybenzene-1-sulfonamide
CID 15579451
4-Methoxy-3-{[3-(2-oxopyrrolidin-1-yl)propyl]sulfamoyl}benzoic acid
CID 2378290
5-(5-Carboxy-pentylsulfamoyl)-2-methoxy-benzoic acid
CID 2404298

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(ethylsulfamoyl)-4-methoxybenzoic acid (CID 16768179) is 3-(ethylsulfamoyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(ethylsulfamoyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(ethylsulfamoyl)-4-methoxybenzoic acid is CCNS(=O)(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 3-(ethylsulfamoyl)-4-methoxybenzoic acid?
The InChIKey is PLOXPMMCRRYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-3-11-17(14,15)9-6-7(10(12)13)4-5-8(9)16-2/h4-6,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-(ethylsulfamoyl)-4-methoxybenzoic acid?
3-(ethylsulfamoyl)-4-methoxybenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-4-methoxybenzoic acid is sourced from PubChem (CID 16768179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).