5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide

About 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide (PubChem CID 58056995) has the molecular formula C28H26Cl2N6O5S and a molecular weight of 629.53 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name	5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide
PubChem CID	58056995
Molecular Formula	C28H26Cl2N6O5S
Molecular Weight	629.53 g/mol
Exact Mass	628.11
IUPAC Name	5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide
SMILES	CNC(=O)c1cc(Cl)cc(C)c1CC(=O)c1cc(CN(C=O)c2ccccc2NS(C)(=O)=O)nn1-c1ncccc1Cl
InChI	InChI=1S/C28H26Cl2N6O5S/c1-17-11-18(29)12-21(28(39)31-2)20(17)14-26(38)25-13-19(33-36(25)27-22(30)7-6-10-32-27)15-35(16-37)24-9-5-4-8-23(24)34-42(3,40)41/h4-13,16,34H,14-15H2,1-3H3,(H,31,39)
InChIKey	IDHFBLIHGAXVSY-UHFFFAOYSA-N
XLogP	4.20
TPSA	143.36 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.53
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide?

The IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide (CID 58056995) is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide.

What is the SMILES notation for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide?

The canonical SMILES for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide is CNC(=O)c1cc(Cl)cc(C)c1CC(=O)c1cc(CN(C=O)c2ccccc2NS(C)(=O)=O)nn1-c1ncccc1Cl.

What is the InChIKey of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide?

The InChIKey is IDHFBLIHGAXVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N6O5S/c1-17-11-18(29)12-21(28(39)31-2)20(17)14-26(38)25-13-19(33-36(25)27-22(30)7-6-10-32-27)15-35(16-37)24-9-5-4-8-23(24)34-42(3,40)41/h4-13,16,34H,14-15H2,1-3H3,(H,31,39).

What are the key properties of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide?

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide has a molecular weight of 629.53 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[N-formyl-2-(methanesulfonamido)anilino]methyl]pyrazol-5-yl]-2-oxoethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 58056995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).