5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide

C24H25Cl2N5O3S — CID 25270897

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide
SMILESCN(C)CCN=S(C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H25Cl2N5O3S/c1-31(2)13-12-28-35(3,34)19-8-4-16(5-9-19)23(32)29-21-10-6-17(25)14-20(21)24(33)30-22-11-7-18(26)15-27-22/h4-11,14-15H,12-13H2,1-3H3,(H,29,32)(H,27,30,33)
InChIKeyDTCGZUWLPYRQCM-UHFFFAOYSA-N
MW534.47 g/mol
LogP4.91
Rot. Bonds8

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide (PubChem CID 25270897) has the molecular formula C24H25Cl2N5O3S and a molecular weight of 534.47 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide
PubChem CID25270897
Molecular FormulaC24H25Cl2N5O3S
Molecular Weight534.47 g/mol
Exact Mass533.11
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide
SMILESCN(C)CCN=S(C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H25Cl2N5O3S/c1-31(2)13-12-28-35(3,34)19-8-4-16(5-9-19)23(32)29-21-10-6-17(25)14-20(21)24(33)30-22-11-7-18(26)15-27-22/h4-11,14-15H,12-13H2,1-3H3,(H,29,32)(H,27,30,33)
InChIKeyDTCGZUWLPYRQCM-UHFFFAOYSA-N
XLogP4.91
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide (CID 25270897) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide is CN(C)CCN=S(C)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide?
The InChIKey is DTCGZUWLPYRQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O3S/c1-31(2)13-12-28-35(3,34)19-8-4-16(5-9-19)23(32)29-21-10-6-17(25)14-20(21)24(33)30-22-11-7-18(26)15-27-22/h4-11,14-15H,12-13H2,1-3H3,(H,29,32)(H,27,30,33).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide?
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide has a molecular weight of 534.47 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[N-[2-(dimethylamino)ethyl]-S-methylsulfonimidoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 25270897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).