3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

C24H17ClFN3O3S2 — CID 73294931

IUPAC3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5cccc(Cl)c5F)c4)s3)ccc2C1=O
InChIInChI=1S/C24H17ClFN3O3S2/c1-29-13-16-9-14(5-6-18(16)24(29)30)20-7-8-21(33-20)15-10-17(12-27-11-15)28-34(31,32)22-4-2-3-19(25)23(22)26/h2-12,28H,13H2,1H3
InChIKeyWLVPLARYOFPEJY-UHFFFAOYSA-N
MW514.00 g/mol
LogP5.66
Rot. Bonds5

About 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide

3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 73294931) has the molecular formula C24H17ClFN3O3S2 and a molecular weight of 514.00 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID73294931
Molecular FormulaC24H17ClFN3O3S2
Molecular Weight514.00 g/mol
Exact Mass513.04
IUPAC Name3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5cccc(Cl)c5F)c4)s3)ccc2C1=O
InChIInChI=1S/C24H17ClFN3O3S2/c1-29-13-16-9-14(5-6-18(16)24(29)30)20-7-8-21(33-20)15-10-17(12-27-11-15)28-34(31,32)22-4-2-3-19(25)23(22)26/h2-12,28H,13H2,1H3
InChIKeyWLVPLARYOFPEJY-UHFFFAOYSA-N
XLogP5.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.00
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide (CID 73294931) is 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is CN1Cc2cc(-c3ccc(-c4cncc(NS(=O)(=O)c5cccc(Cl)c5F)c4)s3)ccc2C1=O.
What is the InChIKey of 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is WLVPLARYOFPEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3S2/c1-29-13-16-9-14(5-6-18(16)24(29)30)20-7-8-21(33-20)15-10-17(12-27-11-15)28-34(31,32)22-4-2-3-19(25)23(22)26/h2-12,28H,13H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 514.00 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 73294931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).