4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide

C22H16Cl4N2O3S — CID 154982761

IUPAC4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1C(Cl)=CC=C(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)C1Cl
InChIInChI=1S/C22H16Cl4N2O3S/c1-12-16(23)6-7-20(21(12)26)32(29,30)28-14-9-17(24)22(18(25)10-14)31-15-8-13-4-2-3-5-19(13)27-11-15/h2-12,21,28H,1H3
InChIKeyGGHUNTQVFNDNTR-UHFFFAOYSA-N
MW530.26 g/mol
LogP7.34
Rot. Bonds5

About 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide

4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 154982761) has the molecular formula C22H16Cl4N2O3S and a molecular weight of 530.26 g/mol. Its IUPAC name is 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID154982761
Molecular FormulaC22H16Cl4N2O3S
Molecular Weight530.26 g/mol
Exact Mass527.96
IUPAC Name4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1C(Cl)=CC=C(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)C1Cl
InChIInChI=1S/C22H16Cl4N2O3S/c1-12-16(23)6-7-20(21(12)26)32(29,30)28-14-9-17(24)22(18(25)10-14)31-15-8-13-4-2-3-5-19(13)27-11-15/h2-12,21,28H,1H3
InChIKeyGGHUNTQVFNDNTR-UHFFFAOYSA-N
XLogP7.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.26
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide (CID 154982761) is 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide is CC1C(Cl)=CC=C(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)C1Cl.
What is the InChIKey of 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is GGHUNTQVFNDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl4N2O3S/c1-12-16(23)6-7-20(21(12)26)32(29,30)28-14-9-17(24)22(18(25)10-14)31-15-8-13-4-2-3-5-19(13)27-11-15/h2-12,21,28H,1H3.
What are the key properties of 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide?
4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 530.26 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 154982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).