2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid

C15H19NO4S — CID 60950243

IUPAC2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H19NO4S/c1-2-11-16(12-7-3-4-8-12)21(19,20)14-10-6-5-9-13(14)15(17)18/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,18)
InChIKeyWYEVZILWRNITRV-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.50
Rot. Bonds6

About 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid

2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid (PubChem CID 60950243) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
PubChem CID60950243
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
SMILESC=CCN(C1CCCC1)S(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H19NO4S/c1-2-11-16(12-7-3-4-8-12)21(19,20)14-10-6-5-9-13(14)15(17)18/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,18)
InChIKeyWYEVZILWRNITRV-UHFFFAOYSA-N
XLogP2.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
N-cyclopropyl-N-prop-2-enylnaphthalene-1-sulfonamide
CID 115887203
4-bromo-N-cyclopentyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 116528239
4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
CID 146134236
3-[cyclopropyl(ethyl)sulfamoyl]-2-methylbenzoic acid
CID 63743647
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
N-cyclohexyl-2,3,4,5,6-pentamethyl-N-prop-2-enylbenzenesulfonamide
CID 3670403
5-bromo-N-cyclohexyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 23968657
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
CID 102931502
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid (CID 60950243) is 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid is C=CCN(C1CCCC1)S(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid?
The InChIKey is WYEVZILWRNITRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-11-16(12-7-3-4-8-12)21(19,20)14-10-6-5-9-13(14)15(17)18/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,17,18).
What are the key properties of 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid?
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60950243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).