N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide

C24H22ClNO4S2 — CID 102350984

IUPACN-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide
SMILESC=C/C=C(\C(NS(=O)(=O)c1ccccc1)c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H22ClNO4S2/c1-3-9-23(31(27,28)19-16-14-18(2)15-17-19)24(21-12-7-8-13-22(21)25)26-32(29,30)20-10-5-4-6-11-20/h3-17,24,26H,1H2,2H3/b23-9+
InChIKeyXHAVZJLWISQZGP-NUGSKGIGSA-N
MW488.03 g/mol
LogP5.21
Rot. Bonds8

About N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide

N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide (PubChem CID 102350984) has the molecular formula C24H22ClNO4S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide
PubChem CID102350984
Molecular FormulaC24H22ClNO4S2
Molecular Weight488.03 g/mol
Exact Mass487.07
IUPAC NameN-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide
SMILESC=C/C=C(\C(NS(=O)(=O)c1ccccc1)c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H22ClNO4S2/c1-3-9-23(31(27,28)19-16-14-18(2)15-17-19)24(21-12-7-8-13-22(21)25)26-32(29,30)20-10-5-4-6-11-20/h3-17,24,26H,1H2,2H3/b23-9+
InChIKeyXHAVZJLWISQZGP-NUGSKGIGSA-N
XLogP5.21
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)-2-formylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102577146
(3R,4E)-4-(4-methylphenyl)sulfonylhepta-1,4,6-trien-3-ol
CID 11615925
phenyl (2E)-2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]penta-2,4-dienoate
CID 101383030
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(Z)-3-iodo-1,2,3-triphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 10840704
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
ethylsulfanyl 2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67587191
(2R)-2-(2-chlorophenyl)-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 107314959

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide?
The IUPAC name of N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide (CID 102350984) is N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide.
What is the SMILES notation for N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide?
The canonical SMILES for N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide is C=C/C=C(\C(NS(=O)(=O)c1ccccc1)c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide?
The InChIKey is XHAVZJLWISQZGP-NUGSKGIGSA-N. The full InChI is InChI=1S/C24H22ClNO4S2/c1-3-9-23(31(27,28)19-16-14-18(2)15-17-19)24(21-12-7-8-13-22(21)25)26-32(29,30)20-10-5-4-6-11-20/h3-17,24,26H,1H2,2H3/b23-9+.
What are the key properties of N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide?
N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide has a molecular weight of 488.03 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide is sourced from PubChem (CID 102350984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).