3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide

C21H25ClN2O3S — CID 3331699

IUPAC3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-2-3-4-5-16-23-28(26,27)20-13-11-19(12-14-20)24-21(25)15-8-17-6-9-18(22)10-7-17/h6-15,23H,2-5,16H2,1H3,(H,24,25)
InChIKeyUQDRZABHPKELNZ-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.85
Rot. Bonds10

About 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide

3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 3331699) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
PubChem CID3331699
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-2-3-4-5-16-23-28(26,27)20-13-11-19(12-14-20)24-21(25)15-8-17-6-9-18(22)10-7-17/h6-15,23H,2-5,16H2,1H3,(H,24,25)
InChIKeyUQDRZABHPKELNZ-UHFFFAOYSA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
3-(1,3-benzodioxol-5-yl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3429739
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(butylsulfamoyl)phenyl]prop-2-enamide
CID 2188993
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
(E)-N-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 171778513

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide (CID 3331699) is 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is UQDRZABHPKELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-2-3-4-5-16-23-28(26,27)20-13-11-19(12-14-20)24-21(25)15-8-17-6-9-18(22)10-7-17/h6-15,23H,2-5,16H2,1H3,(H,24,25).
What are the key properties of 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide?
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 420.96 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 3331699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).