(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide

C22H18Cl4N2O3S — CID 155171677

IUPAC(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide
SMILESCC/C=C(Cl)\C=C(\Cl)CS(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H18Cl4N2O3S/c1-2-5-15(23)9-16(24)13-32(29,30)28-17-10-19(25)22(20(26)11-17)31-18-8-14-6-3-4-7-21(14)27-12-18/h3-12,28H,2,13H2,1H3/b15-5+,16-9+
InChIKeyCFMGAYOEFPIMKS-FPKJVEIBSA-N
MW532.28 g/mol
LogP7.73
Rot. Bonds8

About (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide

(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide (PubChem CID 155171677) has the molecular formula C22H18Cl4N2O3S and a molecular weight of 532.28 g/mol. Its IUPAC name is (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide
PubChem CID155171677
Molecular FormulaC22H18Cl4N2O3S
Molecular Weight532.28 g/mol
Exact Mass529.98
IUPAC Name(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide
SMILESCC/C=C(Cl)\C=C(\Cl)CS(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C22H18Cl4N2O3S/c1-2-5-15(23)9-16(24)13-32(29,30)28-17-10-19(25)22(20(26)11-17)31-18-8-14-6-3-4-7-21(14)27-12-18/h3-12,28H,2,13H2,1H3/b15-5+,16-9+
InChIKeyCFMGAYOEFPIMKS-FPKJVEIBSA-N
XLogP7.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.28
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide?
The IUPAC name of (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide (CID 155171677) is (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide.
What is the SMILES notation for (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide?
The canonical SMILES for (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide is CC/C=C(Cl)\C=C(\Cl)CS(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide?
The InChIKey is CFMGAYOEFPIMKS-FPKJVEIBSA-N. The full InChI is InChI=1S/C22H18Cl4N2O3S/c1-2-5-15(23)9-16(24)13-32(29,30)28-17-10-19(25)22(20(26)11-17)31-18-8-14-6-3-4-7-21(14)27-12-18/h3-12,28H,2,13H2,1H3/b15-5+,16-9+.
What are the key properties of (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide?
(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide has a molecular weight of 532.28 g/mol, XLogP of 7.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide is sourced from PubChem (CID 155171677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).