N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide

C17H16N4O2S — CID 141461664

IUPACN-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-12-16(21-24(22,23)15-5-3-2-4-6-15)9-14(11-19-12)13-7-8-17(18)20-10-13/h2-11,21H,1H3,(H2,18,20)
InChIKeyGAQPVINVKHKVCX-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.84
Rot. Bonds4

About N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide

N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide (PubChem CID 141461664) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
PubChem CID141461664
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-12-16(21-24(22,23)15-5-3-2-4-6-15)9-14(11-19-12)13-7-8-17(18)20-10-13/h2-11,21H,1H3,(H2,18,20)
InChIKeyGAQPVINVKHKVCX-UHFFFAOYSA-N
XLogP2.84
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide (CID 141461664) is N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide is Cc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide?
The InChIKey is GAQPVINVKHKVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-16(21-24(22,23)15-5-3-2-4-6-15)9-14(11-19-12)13-7-8-17(18)20-10-13/h2-11,21H,1H3,(H2,18,20).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide?
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 141461664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).