4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

C19H20N4O3S — CID 53312065

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cnc2N)cn1
InChIInChI=1S/C19H20N4O3S/c1-23(2)27(24,25)16-7-4-13(5-8-16)15-10-17(19(20)22-12-15)14-6-9-18(26-3)21-11-14/h4-12H,1-3H3,(H2,20,22)
InChIKeyNTBMDNFTKNXWSC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.65
Rot. Bonds5

About 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 53312065) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
PubChem CID53312065
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cnc2N)cn1
InChIInChI=1S/C19H20N4O3S/c1-23(2)27(24,25)16-7-4-13(5-8-16)15-10-17(19(20)22-12-15)14-6-9-18(26-3)21-11-14/h4-12H,1-3H3,(H2,20,22)
InChIKeyNTBMDNFTKNXWSC-UHFFFAOYSA-N
XLogP2.65
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (CID 53312065) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is COc1ccc(-c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)cnc2N)cn1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NTBMDNFTKNXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-23(2)27(24,25)16-7-4-13(5-8-16)15-10-17(19(20)22-12-15)14-6-9-18(26-3)21-11-14/h4-12H,1-3H3,(H2,20,22).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 53312065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).