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

C20H18ClNO4S — CID 997731

IUPAC4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C1
InChIInChI=1S/C20H18ClNO4S/c1-20(2)10-16(23)19-15-9-13(5-8-17(15)26-18(19)11-20)22-27(24,25)14-6-3-12(21)4-7-14/h3-9,22H,10-11H2,1-2H3
InChIKeyFPSRFFAOACTUND-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.04
Rot. Bonds3

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

4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (PubChem CID 997731) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
PubChem CID997731
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
SMILESCC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C1
InChIInChI=1S/C20H18ClNO4S/c1-20(2)10-16(23)19-15-9-13(5-8-17(15)26-18(19)11-20)22-27(24,25)14-6-3-12(21)4-7-14/h3-9,22H,10-11H2,1-2H3
InChIKeyFPSRFFAOACTUND-UHFFFAOYSA-N
XLogP5.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 2937245
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
2,5-dichloro-N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 2355048
4-tert-butyl-N-(3,7,7-trimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide
CID 4856201
N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-3-nitrobenzenesulfonamide
CID 2887559
4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
CID 18568820
3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
CID 134372965
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
4-(4-chlorophenyl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)benzenesulfonamide
CID 10287501
4-chloro-3-methyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 4826401
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide (CID 997731) is 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C1.
What is the InChIKey of 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
The InChIKey is FPSRFFAOACTUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-20(2)10-16(23)19-15-9-13(5-8-17(15)26-18(19)11-20)22-27(24,25)14-6-3-12(21)4-7-14/h3-9,22H,10-11H2,1-2H3.
What are the key properties of 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide?
4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)benzenesulfonamide is sourced from PubChem (CID 997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).