2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide

C20H16Cl3NO4S — CID 2355048

IUPAC2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)C1
InChIInChI=1S/C20H16Cl3NO4S/c1-20(2)8-15(25)18-12-6-11(7-14(23)19(12)28-16(18)9-20)24-29(26,27)17-5-10(21)3-4-13(17)22/h3-7,24H,8-9H2,1-2H3
InChIKeySMEUKMDRQGLWEF-UHFFFAOYSA-N
MW472.78 g/mol
LogP6.35
Rot. Bonds3

About 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide

2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 2355048) has the molecular formula C20H16Cl3NO4S and a molecular weight of 472.78 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID2355048
Molecular FormulaC20H16Cl3NO4S
Molecular Weight472.78 g/mol
Exact Mass470.99
IUPAC Name2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)C1
InChIInChI=1S/C20H16Cl3NO4S/c1-20(2)8-15(25)18-12-6-11(7-14(23)19(12)28-16(18)9-20)24-29(26,27)17-5-10(21)3-4-13(17)22/h3-7,24H,8-9H2,1-2H3
InChIKeySMEUKMDRQGLWEF-UHFFFAOYSA-N
XLogP6.35
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.78
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-3-nitrobenzenesulfonamide
CID 2887559
4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 997731
N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2-methylbenzenesulfonamide
CID 15996493
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
2-chloro-N-(4-chloro-6,7,8,9-tetrahydrodibenzofuran-2-yl)-5-nitrobenzenesulfonamide
CID 4990147
3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
CID 134372965
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
2,5-dichloro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
CID 86678947
N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-2,4,5-trichlorobenzenesulfonamide
CID 25042343
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2937245
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (CID 2355048) is 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is CC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)C1.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is SMEUKMDRQGLWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO4S/c1-20(2)8-15(25)18-12-6-11(7-14(23)19(12)28-16(18)9-20)24-29(26,27)17-5-10(21)3-4-13(17)22/h3-7,24H,8-9H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 472.78 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 2355048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).