(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid

C15H19NO4S — CID 43270285

IUPAC(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C15H19NO4S/c1-2-11-16(13-6-7-13)21(19,20)14-8-3-12(4-9-14)5-10-15(17)18/h3-5,8-10,13H,2,6-7,11H2,1H3,(H,17,18)/b10-5+
InChIKeyTZEIOVXTRVYEIK-BJMVGYQFSA-N
MW309.39 g/mol
LogP2.35
Rot. Bonds7

About (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid

(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid (PubChem CID 43270285) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid
PubChem CID43270285
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C15H19NO4S/c1-2-11-16(13-6-7-13)21(19,20)14-8-3-12(4-9-14)5-10-15(17)18/h3-5,8-10,13H,2,6-7,11H2,1H3,(H,17,18)/b10-5+
InChIKeyTZEIOVXTRVYEIK-BJMVGYQFSA-N
XLogP2.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-chloro-4-[cyclopropyl(ethyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907900
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
4-[cyclopropyl(propyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43270298
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
5-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907804
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
3-[4-[methyl(propyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971533
N-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid (CID 43270285) is (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid is CCCN(C1CC1)S(=O)(=O)c1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid?
The InChIKey is TZEIOVXTRVYEIK-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-11-16(13-6-7-13)21(19,20)14-8-3-12(4-9-14)5-10-15(17)18/h3-5,8-10,13H,2,6-7,11H2,1H3,(H,17,18)/b10-5+.
What are the key properties of (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid?
(E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[cyclopropyl(propyl)sulfamoyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 43270285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).