N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide

C20H17Cl2N5O2S — CID 102115812

IUPACN-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc(N)c2C#N)cc1
InChIInChI=1S/C20H17Cl2N5O2S/c1-27(2)14-6-3-12(4-7-14)15-10-19(25-20(24)16(15)11-23)26-30(28,29)18-9-13(21)5-8-17(18)22/h3-10H,1-2H3,(H3,24,25,26)
InChIKeyZBHGVKWVOIDFDI-UHFFFAOYSA-N
MW462.36 g/mol
LogP4.38
Rot. Bonds5

About N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide

N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 102115812) has the molecular formula C20H17Cl2N5O2S and a molecular weight of 462.36 g/mol. Its IUPAC name is N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide
PubChem CID102115812
Molecular FormulaC20H17Cl2N5O2S
Molecular Weight462.36 g/mol
Exact Mass461.05
IUPAC NameN-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide
SMILESCN(C)c1ccc(-c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc(N)c2C#N)cc1
InChIInChI=1S/C20H17Cl2N5O2S/c1-27(2)14-6-3-12(4-7-14)15-10-19(25-20(24)16(15)11-23)26-30(28,29)18-9-13(21)5-8-17(18)22/h3-10H,1-2H3,(H3,24,25,26)
InChIKeyZBHGVKWVOIDFDI-UHFFFAOYSA-N
XLogP4.38
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide (CID 102115812) is N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide is CN(C)c1ccc(-c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc(N)c2C#N)cc1.
What is the InChIKey of N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is ZBHGVKWVOIDFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N5O2S/c1-27(2)14-6-3-12(4-7-14)15-10-19(25-20(24)16(15)11-23)26-30(28,29)18-9-13(21)5-8-17(18)22/h3-10H,1-2H3,(H3,24,25,26).
What are the key properties of N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide?
N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 462.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 102115812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).