(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid

C18H16ClNO4S — CID 11176374

IUPAC(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
SMILESCC(/C=C/C(=O)O)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO4S/c1-13(2-11-18(21)22)12-14-3-7-16(8-4-14)20-25(23,24)17-9-5-15(19)6-10-17/h2-12,20H,1H3,(H,21,22)/b11-2+,13-12+
InChIKeyHIUIHMARBRKSSO-HUYCJKDXSA-N
MW377.85 g/mol
LogP4.18
Rot. Bonds6

About (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid

(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid (PubChem CID 11176374) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
PubChem CID11176374
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid
SMILESCC(/C=C/C(=O)O)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO4S/c1-13(2-11-18(21)22)12-14-3-7-16(8-4-14)20-25(23,24)17-9-5-15(19)6-10-17/h2-12,20H,1H3,(H,21,22)/b11-2+,13-12+
InChIKeyHIUIHMARBRKSSO-HUYCJKDXSA-N
XLogP4.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-hydroxy-4-methylpenta-2,4-dienamide
CID 10249964
3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 67019619
ethyl (2E,4E,6E)-7-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-6-methylhepta-2,4,6-trienoate
CID 11384927
(E)-3-[3-[(4-chlorophenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 20780415
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
2-methyl-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 66675687
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068
ethyl 5-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoate
CID 72747886
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid (CID 11176374) is (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid is CC(/C=C/C(=O)O)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid?
The InChIKey is HIUIHMARBRKSSO-HUYCJKDXSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-13(2-11-18(21)22)12-14-3-7-16(8-4-14)20-25(23,24)17-9-5-15(19)6-10-17/h2-12,20H,1H3,(H,21,22)/b11-2+,13-12+.
What are the key properties of (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid?
(2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid has a molecular weight of 377.85 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-4-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 11176374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).