4-(prop-2-enylsulfamoyl)benzoic acid

C10H11NO4S — CID 2512621

IUPAC4-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13)
InChIKeyNKCFJTWULJOLDV-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.85
Rot. Bonds5

About 4-(prop-2-enylsulfamoyl)benzoic acid

4-(prop-2-enylsulfamoyl)benzoic acid (PubChem CID 2512621) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoyl)benzoic acid
PubChem CID2512621
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name4-(prop-2-enylsulfamoyl)benzoic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H11NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13)
InChIKeyNKCFJTWULJOLDV-UHFFFAOYSA-N
XLogP0.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
4-(prop-2-enylsulfamoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 38783251
N,N'-bis[4-(prop-2-enylsulfamoyl)phenyl]nonanediamide
CID 4930373
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoyl)benzoic acid?
The IUPAC name of 4-(prop-2-enylsulfamoyl)benzoic acid (CID 2512621) is 4-(prop-2-enylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(prop-2-enylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(prop-2-enylsulfamoyl)benzoic acid is C=CCNS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoyl)benzoic acid?
The InChIKey is NKCFJTWULJOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-2-7-11-16(14,15)9-5-3-8(4-6-9)10(12)13/h2-6,11H,1,7H2,(H,12,13).
What are the key properties of 4-(prop-2-enylsulfamoyl)benzoic acid?
4-(prop-2-enylsulfamoyl)benzoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoyl)benzoic acid is sourced from PubChem (CID 2512621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).