4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide

C21H13ClN2O6S — CID 11561582

IUPAC4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(Cl)ccc2C3=O)cc1
InChIInChI=1S/C21H13ClN2O6S/c22-12-3-7-15-17(9-12)20(26)18-10-14(6-8-16(18)19(15)25)31(29,30)24-13-4-1-11(2-5-13)21(27)23-28/h1-10,24,28H,(H,23,27)
InChIKeyOHBFTIWUVMHFNR-UHFFFAOYSA-N
MW456.86 g/mol
LogP3.04
Rot. Bonds4

About 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide

4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide (PubChem CID 11561582) has the molecular formula C21H13ClN2O6S and a molecular weight of 456.86 g/mol. Its IUPAC name is 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide
PubChem CID11561582
Molecular FormulaC21H13ClN2O6S
Molecular Weight456.86 g/mol
Exact Mass456.02
IUPAC Name4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(Cl)ccc2C3=O)cc1
InChIInChI=1S/C21H13ClN2O6S/c22-12-3-7-15-17(9-12)20(26)18-10-14(6-8-16(18)19(15)25)31(29,30)24-13-4-1-11(2-5-13)21(27)23-28/h1-10,24,28H,(H,23,27)
InChIKeyOHBFTIWUVMHFNR-UHFFFAOYSA-N
XLogP3.04
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.86
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
7-chloro-9,10-dioxoanthracene-2-sulfonic acid
CID 23463689
3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-2-yl)benzamide
CID 121042877
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 4617955
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide (CID 11561582) is 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide is O=C(NO)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2cc(Cl)ccc2C3=O)cc1.
What is the InChIKey of 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide?
The InChIKey is OHBFTIWUVMHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O6S/c22-12-3-7-15-17(9-12)20(26)18-10-14(6-8-16(18)19(15)25)31(29,30)24-13-4-1-11(2-5-13)21(27)23-28/h1-10,24,28H,(H,23,27).
What are the key properties of 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide?
4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide has a molecular weight of 456.86 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-9,10-dioxoanthracen-2-yl)sulfonylamino]-N-hydroxybenzamide is sourced from PubChem (CID 11561582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).