4-ethyl-2-sulfamoylbenzoic acid

C9H11NO4S — CID 174396253

IUPAC4-ethyl-2-sulfamoylbenzoic acid
SMILESCCc1ccc(C(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO4S/c1-2-6-3-4-7(9(11)12)8(5-6)15(10,13)14/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyIKZZTPXIPJOSRG-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.59
Rot. Bonds3

About 4-ethyl-2-sulfamoylbenzoic acid

4-ethyl-2-sulfamoylbenzoic acid (PubChem CID 174396253) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-ethyl-2-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-ethyl-2-sulfamoylbenzoic acid
PubChem CID174396253
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name4-ethyl-2-sulfamoylbenzoic acid
SMILESCCc1ccc(C(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO4S/c1-2-6-3-4-7(9(11)12)8(5-6)15(10,13)14/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyIKZZTPXIPJOSRG-UHFFFAOYSA-N
XLogP0.59
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-disulfamoylbenzoic acid
CID 70122290
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-(diethylamino)-4-ethylbenzoic acid
CID 70604217
2-amino-5-ethylbenzenesulfonic acid
CID 14819008
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
5-ethyl-2,3-dimethylbenzenesulfonamide
CID 58109757
2-butoxy-4-ethylbenzoic acid
CID 174580616
5-ethyl-2-methoxybenzoic acid
CID 20721149
ethyl 4-hydrazinyl-2-sulfamoylbenzoate
CID 14837219
methyl 5-(hydroxymethyl)-2-sulfamoylbenzoate
CID 19812513

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-sulfamoylbenzoic acid?
The IUPAC name of 4-ethyl-2-sulfamoylbenzoic acid (CID 174396253) is 4-ethyl-2-sulfamoylbenzoic acid.
What is the SMILES notation for 4-ethyl-2-sulfamoylbenzoic acid?
The canonical SMILES for 4-ethyl-2-sulfamoylbenzoic acid is CCc1ccc(C(=O)O)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-ethyl-2-sulfamoylbenzoic acid?
The InChIKey is IKZZTPXIPJOSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-6-3-4-7(9(11)12)8(5-6)15(10,13)14/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 4-ethyl-2-sulfamoylbenzoic acid?
4-ethyl-2-sulfamoylbenzoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-sulfamoylbenzoic acid is sourced from PubChem (CID 174396253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).