3-(2-carbamoyloxyethylsulfamoyl)benzoic acid

C10H12N2O6S — CID 83202394

IUPAC3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H12N2O6S/c11-10(15)18-5-4-12-19(16,17)8-3-1-2-7(6-8)9(13)14/h1-3,6,12H,4-5H2,(H2,11,15)(H,13,14)
InChIKeyYRDVZUDZPSSDCE-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.24
Rot. Bonds6

About 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid

3-(2-carbamoyloxyethylsulfamoyl)benzoic acid (PubChem CID 83202394) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
PubChem CID83202394
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C10H12N2O6S/c11-10(15)18-5-4-12-19(16,17)8-3-1-2-7(6-8)9(13)14/h1-3,6,12H,4-5H2,(H2,11,15)(H,13,14)
InChIKeyYRDVZUDZPSSDCE-UHFFFAOYSA-N
XLogP-0.24
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-(2-but-3-enoxyethylsulfamoyl)benzoic acid
CID 106395309
3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
3-bromo-4-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83201896
3-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390643
2-[2-[(3-carbamothioylphenyl)sulfonylamino]ethoxy]acetamide
CID 106237183
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid (CID 83202394) is 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid is NC(=O)OCCNS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid?
The InChIKey is YRDVZUDZPSSDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c11-10(15)18-5-4-12-19(16,17)8-3-1-2-7(6-8)9(13)14/h1-3,6,12H,4-5H2,(H2,11,15)(H,13,14).
What are the key properties of 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid?
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid has a molecular weight of 288.28 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbamoyloxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 83202394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).