3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide

C27H17ClN2O5S — CID 121042738

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H17ClN2O5S/c28-17-11-13-19(14-12-17)36(34,35)30-18-6-3-5-16(15-18)27(33)29-23-10-4-9-22-24(23)26(32)21-8-2-1-7-20(21)25(22)31/h1-15,30H,(H,29,33)
InChIKeyYNJXABBZDBPACB-UHFFFAOYSA-N
MW516.96 g/mol
LogP5.17
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide

3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide (PubChem CID 121042738) has the molecular formula C27H17ClN2O5S and a molecular weight of 516.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide
PubChem CID121042738
Molecular FormulaC27H17ClN2O5S
Molecular Weight516.96 g/mol
Exact Mass516.05
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H17ClN2O5S/c28-17-11-13-19(14-12-17)36(34,35)30-18-6-3-5-16(15-18)27(33)29-23-10-4-9-22-24(23)26(32)21-8-2-1-7-20(21)25(22)31/h1-15,30H,(H,29,33)
InChIKeyYNJXABBZDBPACB-UHFFFAOYSA-N
XLogP5.17
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-2-yl)benzamide
CID 121042877
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068
3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
2-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 16803047

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide (CID 121042738) is 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide is O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide?
The InChIKey is YNJXABBZDBPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClN2O5S/c28-17-11-13-19(14-12-17)36(34,35)30-18-6-3-5-16(15-18)27(33)29-23-10-4-9-22-24(23)26(32)21-8-2-1-7-20(21)25(22)31/h1-15,30H,(H,29,33).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide has a molecular weight of 516.96 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(9,10-dioxoanthracen-1-yl)benzamide is sourced from PubChem (CID 121042738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).