N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide

C24H17ClN2O3S — CID 10049353

IUPACN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c25-20-8-11-23(22(16-20)24(28)19-12-14-26-15-13-19)27-31(29,30)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-16,27H
InChIKeyMDWXGFJYTNOARG-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.43
Rot. Bonds6

About N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide

N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide (PubChem CID 10049353) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide
PubChem CID10049353
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC NameN-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide
SMILESO=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17ClN2O3S/c25-20-8-11-23(22(16-20)24(28)19-12-14-26-15-13-19)27-31(29,30)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-16,27H
InChIKeyMDWXGFJYTNOARG-UHFFFAOYSA-N
XLogP5.43
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide (CID 10049353) is N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide is O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is MDWXGFJYTNOARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c25-20-8-11-23(22(16-20)24(28)19-12-14-26-15-13-19)27-31(29,30)21-9-6-18(7-10-21)17-4-2-1-3-5-17/h1-16,27H.
What are the key properties of N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide?
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 448.93 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 10049353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).