N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C24H16ClF2N3O3S2 — CID 73295618

IUPACN-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O
InChIInChI=1S/C24H16ClF2N3O3S2/c1-30-12-15-8-13(2-4-17(15)24(30)31)20-5-6-21(34-20)14-9-19(23(25)28-11-14)29-35(32,33)22-7-3-16(26)10-18(22)27/h2-11,29H,12H2,1H3
InChIKeyVCCQJVPQDJVDPL-UHFFFAOYSA-N
MW531.99 g/mol
LogP5.80
Rot. Bonds5

About N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 73295618) has the molecular formula C24H16ClF2N3O3S2 and a molecular weight of 531.99 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID73295618
Molecular FormulaC24H16ClF2N3O3S2
Molecular Weight531.99 g/mol
Exact Mass531.03
IUPAC NameN-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O
InChIInChI=1S/C24H16ClF2N3O3S2/c1-30-12-15-8-13(2-4-17(15)24(30)31)20-5-6-21(34-20)14-9-19(23(25)28-11-14)29-35(32,33)22-7-3-16(26)10-18(22)27/h2-11,29H,12H2,1H3
InChIKeyVCCQJVPQDJVDPL-UHFFFAOYSA-N
XLogP5.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.99
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 73295618) is N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is CN1Cc2cc(-c3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5F)c4)s3)ccc2C1=O.
What is the InChIKey of N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is VCCQJVPQDJVDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O3S2/c1-30-12-15-8-13(2-4-17(15)24(30)31)20-5-6-21(34-20)14-9-19(23(25)28-11-14)29-35(32,33)22-7-3-16(26)10-18(22)27/h2-11,29H,12H2,1H3.
What are the key properties of N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 531.99 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 73295618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).