N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide

C25H24ClNO3S — CID 46844306

IUPACN-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCC/C=C(\C(=O)c1ccc(Cl)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H24ClNO3S/c1-3-7-23(25(28)20-12-14-21(26)15-13-20)24(19-8-5-4-6-9-19)27-31(29,30)22-16-10-18(2)11-17-22/h4-17,24,27H,3H2,1-2H3/b23-7-
InChIKeyXONQFCIVIWULBX-FINSYCMTSA-N
MW453.99 g/mol
LogP5.89
Rot. Bonds8

About N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide

N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 46844306) has the molecular formula C25H24ClNO3S and a molecular weight of 453.99 g/mol. Its IUPAC name is N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
PubChem CID46844306
Molecular FormulaC25H24ClNO3S
Molecular Weight453.99 g/mol
Exact Mass453.12
IUPAC NameN-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
SMILESCC/C=C(\C(=O)c1ccc(Cl)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H24ClNO3S/c1-3-7-23(25(28)20-12-14-21(26)15-13-20)24(19-8-5-4-6-9-19)27-31(29,30)22-16-10-18(2)11-17-22/h4-17,24,27H,3H2,1-2H3/b23-7-
InChIKeyXONQFCIVIWULBX-FINSYCMTSA-N
XLogP5.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.99
LogP ≤ 55.89
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

N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
CID 46844305
N-[(Z)-2-(4-bromobenzoyl)-1-(4-methoxyphenyl)pent-2-enyl]-4-methylbenzenesulfonamide
CID 46844527
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
methyl (E)-2-[(4-chlorophenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 24812919
N-[(E)-5-(4-chlorophenyl)-3-oxo-1-phenylpent-4-enyl]-4-methylbenzenesulfonamide
CID 101494243
N-[2-benzoyl-1-(4-ethylphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 10927925
(2R)-N-butyl-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetamide
CID 102010985
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
CID 51961574

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide (CID 46844306) is N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide is CC/C=C(\C(=O)c1ccc(Cl)cc1)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is XONQFCIVIWULBX-FINSYCMTSA-N. The full InChI is InChI=1S/C25H24ClNO3S/c1-3-7-23(25(28)20-12-14-21(26)15-13-20)24(19-8-5-4-6-9-19)27-31(29,30)22-16-10-18(2)11-17-22/h4-17,24,27H,3H2,1-2H3/b23-7-.
What are the key properties of N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide?
N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 453.99 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-chlorobenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46844306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).