N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide

C18H20N2O5S2 — CID 4089423

IUPACN-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NCC=C)cc2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-3-13-19-26(21,22)17-9-5-15(6-10-17)25-16-7-11-18(12-8-16)27(23,24)20-14-4-2/h3-12,19-20H,1-2,13-14H2
InChIKeyOLLZCSZRWWNKMR-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.41
Rot. Bonds10

About N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide

N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide (PubChem CID 4089423) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide
PubChem CID4089423
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC NameN-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NCC=C)cc2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-3-13-19-26(21,22)17-9-5-15(6-10-17)25-16-7-11-18(12-8-16)27(23,24)20-14-4-2/h3-12,19-20H,1-2,13-14H2
InChIKeyOLLZCSZRWWNKMR-UHFFFAOYSA-N
XLogP2.41
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide (CID 4089423) is N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide is C=CCNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NCC=C)cc2)cc1.
What is the InChIKey of N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide?
The InChIKey is OLLZCSZRWWNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-3-13-19-26(21,22)17-9-5-15(6-10-17)25-16-7-11-18(12-8-16)27(23,24)20-14-4-2/h3-12,19-20H,1-2,13-14H2.
What are the key properties of N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide?
N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[4-(prop-2-enylsulfamoyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 4089423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).