4-(prop-2-enylsulfamoylmethyl)benzoic acid

C11H13NO4S — CID 43362558

IUPAC4-(prop-2-enylsulfamoylmethyl)benzoic acid
SMILESC=CCNS(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4S/c1-2-7-12-17(15,16)8-9-3-5-10(6-4-9)11(13)14/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyORLNGEUYZOPJOI-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.99
Rot. Bonds6

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

4-(prop-2-enylsulfamoylmethyl)benzoic acid (PubChem CID 43362558) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoylmethyl)benzoic acid.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoylmethyl)benzoic acid
PubChem CID43362558
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name4-(prop-2-enylsulfamoylmethyl)benzoic acid
SMILESC=CCNS(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4S/c1-2-7-12-17(15,16)8-9-3-5-10(6-4-9)11(13)14/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyORLNGEUYZOPJOI-UHFFFAOYSA-N
XLogP0.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.99
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-enylsulfamoyl)benzoic acid
CID 2512621
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
4-[bis(prop-2-enyl)sulfamoylmethyl]benzoic acid
CID 43362563
4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499045
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
4-[(2-ethyl-2-hydroxybutyl)sulfamoylmethyl]benzoic acid
CID 65105756
4-[2-(dimethylamino)propylsulfamoylmethyl]benzoic acid
CID 61042934
4-[(5-methyl-1,2-oxazol-3-yl)sulfamoylmethyl]benzoic acid
CID 43362452
4-[(2,2,3,3-tetramethylcyclopropyl)sulfamoylmethyl]benzoic acid
CID 79351658
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
4-(benzylsulfonylmethyl)benzoic acid
CID 43444416
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoylmethyl)benzoic acid?
The IUPAC name of 4-(prop-2-enylsulfamoylmethyl)benzoic acid (CID 43362558) is 4-(prop-2-enylsulfamoylmethyl)benzoic acid.
What is the SMILES notation for 4-(prop-2-enylsulfamoylmethyl)benzoic acid?
The canonical SMILES for 4-(prop-2-enylsulfamoylmethyl)benzoic acid is C=CCNS(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoylmethyl)benzoic acid?
The InChIKey is ORLNGEUYZOPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-2-7-12-17(15,16)8-9-3-5-10(6-4-9)11(13)14/h2-6,12H,1,7-8H2,(H,13,14).
What are the key properties of 4-(prop-2-enylsulfamoylmethyl)benzoic acid?
4-(prop-2-enylsulfamoylmethyl)benzoic acid has a molecular weight of 255.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoylmethyl)benzoic acid is sourced from PubChem (CID 43362558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).