3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide

C15H19ClN2O3S — CID 17225599

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-3-11-18(12-4-2)15(19)9-10-17-22(20,21)14-7-5-13(16)6-8-14/h3-8,17H,1-2,9-12H2
InChIKeyJBQVSLKGANKAIV-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.21
Rot. Bonds9

About 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide (PubChem CID 17225599) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
PubChem CID17225599
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3S/c1-3-11-18(12-4-2)15(19)9-10-17-22(20,21)14-7-5-13(16)6-8-14/h3-8,17H,1-2,9-12H2
InChIKeyJBQVSLKGANKAIV-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.21
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

3-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide
CID 17154050
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-prop-2-enylacetamide
CID 113052320
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 4165843
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide (CID 17225599) is 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is JBQVSLKGANKAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-3-11-18(12-4-2)15(19)9-10-17-22(20,21)14-7-5-13(16)6-8-14/h3-8,17H,1-2,9-12H2.
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 342.85 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 17225599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).