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

C18H18N4O3S — CID 53312148

IUPAC4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-20-26(23,24)15-6-3-12(4-7-15)14-9-16(18(19)22-11-14)13-5-8-17(25-2)21-10-13/h3-11,20H,1-2H3,(H2,19,22)
InChIKeyNIENXNMDVOMRQU-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.31
Rot. Bonds5

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

4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 53312148) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID53312148
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-20-26(23,24)15-6-3-12(4-7-15)14-9-16(18(19)22-11-14)13-5-8-17(25-2)21-10-13/h3-11,20H,1-2H3,(H2,19,22)
InChIKeyNIENXNMDVOMRQU-UHFFFAOYSA-N
XLogP2.31
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-methylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide (CID 53312148) is 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(OC)nc3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is NIENXNMDVOMRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-20-26(23,24)15-6-3-12(4-7-15)14-9-16(18(19)22-11-14)13-5-8-17(25-2)21-10-13/h3-11,20H,1-2H3,(H2,19,22).
What are the key properties of 4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide?
4-[6-amino-5-(6-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 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-methylbenzenesulfonamide is sourced from PubChem (CID 53312148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).