N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide

C19H15ClN2O7S — CID 2946507

IUPACN-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN2O7S/c1-28-16-6-5-11(9-14(16)22(24)25)30(26,27)21-10-7-12-18-15(23)3-2-4-17(18)29-19(12)13(20)8-10/h5-9,21H,2-4H2,1H3
InChIKeyXRHVPAVWCKLQLK-UHFFFAOYSA-N
MW450.86 g/mol
LogP4.32
Rot. Bonds5

About N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide

N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide (PubChem CID 2946507) has the molecular formula C19H15ClN2O7S and a molecular weight of 450.86 g/mol. Its IUPAC name is N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
PubChem CID2946507
Molecular FormulaC19H15ClN2O7S
Molecular Weight450.86 g/mol
Exact Mass450.03
IUPAC NameN-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15ClN2O7S/c1-28-16-6-5-11(9-14(16)22(24)25)30(26,27)21-10-7-12-18-15(23)3-2-4-17(18)29-19(12)13(20)8-10/h5-9,21H,2-4H2,1H3
InChIKeyXRHVPAVWCKLQLK-UHFFFAOYSA-N
XLogP4.32
TPSA128.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-(4-bromo-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-chloro-3-methylbenzenesulfonamide
CID 6620840
N-(4-chloro-7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-3-nitrobenzenesulfonamide
CID 2887559
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
N-(7-chloro-2-oxo-1,3-benzoxathiol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 7730197
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
2-chloro-N-(4-chloro-6,7,8,9-tetrahydrodibenzofuran-2-yl)-5-nitrobenzenesulfonamide
CID 4990147
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide (CID 2946507) is N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CCC4)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is XRHVPAVWCKLQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O7S/c1-28-16-6-5-11(9-14(16)22(24)25)30(26,27)21-10-7-12-18-15(23)3-2-4-17(18)29-19(12)13(20)8-10/h5-9,21H,2-4H2,1H3.
What are the key properties of N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide?
N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 450.86 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-9-oxo-7,8-dihydro-6H-dibenzofuran-2-yl)-4-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2946507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).