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

C16H13ClN4O2S — CID 87570781

IUPACN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C16H13ClN4O2S/c17-16-14(21-24(22,23)13-4-2-1-3-5-13)8-12(10-20-16)11-6-7-15(18)19-9-11/h1-10,21H,(H2,18,19)
InChIKeyBGCBAVYVPIXMRK-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.18
Rot. Bonds4

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

N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide (PubChem CID 87570781) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
PubChem CID87570781
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C16H13ClN4O2S/c17-16-14(21-24(22,23)13-4-2-1-3-5-13)8-12(10-20-16)11-6-7-15(18)19-9-11/h1-10,21H,(H2,18,19)
InChIKeyBGCBAVYVPIXMRK-UHFFFAOYSA-N
XLogP3.18
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide (CID 87570781) is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide is Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The InChIKey is BGCBAVYVPIXMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-16-14(21-24(22,23)13-4-2-1-3-5-13)8-12(10-20-16)11-6-7-15(18)19-9-11/h1-10,21H,(H2,18,19).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide?
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide has a molecular weight of 360.83 g/mol, XLogP of 3.18, 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-chloro-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 87570781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).