2-ethyl-4-sulfamoylbenzoic acid

C9H11NO4S — CID 68595259

IUPAC2-ethyl-4-sulfamoylbenzoic acid
SMILESCCc1cc(S(N)(=O)=O)ccc1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-6-5-7(15(10,13)14)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUCDGRMHRCCMCEI-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.59
Rot. Bonds3

About 2-ethyl-4-sulfamoylbenzoic acid

2-ethyl-4-sulfamoylbenzoic acid (PubChem CID 68595259) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-ethyl-4-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-ethyl-4-sulfamoylbenzoic acid
PubChem CID68595259
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-ethyl-4-sulfamoylbenzoic acid
SMILESCCc1cc(S(N)(=O)=O)ccc1C(=O)O
InChIInChI=1S/C9H11NO4S/c1-2-6-5-7(15(10,13)14)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyUCDGRMHRCCMCEI-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

Analyze 2-ethyl-4-sulfamoylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[ethyl(propyl)amino]ethyl]-4-sulfamoylbenzoic acid
CID 68597696
2,4-disulfamoylbenzoic acid
CID 70122290
2-hexoxy-5-sulfamoylbenzoic acid
CID 43322679
2-butyl-4-(3-butyl-4-carboxyphenyl)sulfonylbenzoic acid
CID 69117543
2-ethyl-4-methylbenzoic acid
CID 19886963
4-ethyl-2-sulfamoylbenzoic acid
CID 174396253
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
CID 43088437
2-butan-2-ylsulfanyl-5-sulfamoylbenzoic acid
CID 43322728
2-ethyl-4-fluorobenzoic acid
CID 22101376
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
5-chlorosulfonyl-2-ethylbenzoic acid
CID 55280877
2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-sulfamoylbenzoic acid?
The IUPAC name of 2-ethyl-4-sulfamoylbenzoic acid (CID 68595259) is 2-ethyl-4-sulfamoylbenzoic acid.
What is the SMILES notation for 2-ethyl-4-sulfamoylbenzoic acid?
The canonical SMILES for 2-ethyl-4-sulfamoylbenzoic acid is CCc1cc(S(N)(=O)=O)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-sulfamoylbenzoic acid?
The InChIKey is UCDGRMHRCCMCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-2-6-5-7(15(10,13)14)3-4-8(6)9(11)12/h3-5H,2H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of 2-ethyl-4-sulfamoylbenzoic acid?
2-ethyl-4-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 2-ethyl-4-sulfamoylbenzoic acid is sourced from PubChem (CID 68595259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).