N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide

C20H13Cl2NO2S — CID 19782287

IUPACN-anthracen-9-yl-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c2ccccc2cc2ccccc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H13Cl2NO2S/c21-17-10-5-11-18(19(17)22)26(24,25)23-20-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)20/h1-12,23H
InChIKeyZBQMWYVJZUGWIG-UHFFFAOYSA-N
MW402.30 g/mol
LogP6.10
Rot. Bonds3

About N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide

N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide (PubChem CID 19782287) has the molecular formula C20H13Cl2NO2S and a molecular weight of 402.30 g/mol. Its IUPAC name is N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-anthracen-9-yl-2,3-dichlorobenzenesulfonamide
PubChem CID19782287
Molecular FormulaC20H13Cl2NO2S
Molecular Weight402.30 g/mol
Exact Mass401.00
IUPAC NameN-anthracen-9-yl-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1c2ccccc2cc2ccccc12)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H13Cl2NO2S/c21-17-10-5-11-18(19(17)22)26(24,25)23-20-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)20/h1-12,23H
InChIKeyZBQMWYVJZUGWIG-UHFFFAOYSA-N
XLogP6.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide (CID 19782287) is N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide is O=S(=O)(Nc1c2ccccc2cc2ccccc12)c1cccc(Cl)c1Cl.
What is the InChIKey of N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide?
The InChIKey is ZBQMWYVJZUGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2S/c21-17-10-5-11-18(19(17)22)26(24,25)23-20-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)20/h1-12,23H.
What are the key properties of N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide?
N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide has a molecular weight of 402.30 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 19782287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).