3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine

C16H12ClN3O2S — CID 118628306

IUPAC3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1ccccn1
InChIInChI=1S/C16H12ClN3O2S/c17-14-10-9-13(23(21,22)12-6-2-1-3-7-12)16(19-14)20-15-8-4-5-11-18-15/h1-11H,(H,18,19,20)
InChIKeyIBCHTTUAMGTOTA-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.71
Rot. Bonds4

About 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine

3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine (PubChem CID 118628306) has the molecular formula C16H12ClN3O2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine
PubChem CID118628306
Molecular FormulaC16H12ClN3O2S
Molecular Weight345.81 g/mol
Exact Mass345.03
IUPAC Name3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1ccccn1
InChIInChI=1S/C16H12ClN3O2S/c17-14-10-9-13(23(21,22)12-6-2-1-3-7-12)16(19-14)20-15-8-4-5-11-18-15/h1-11H,(H,18,19,20)
InChIKeyIBCHTTUAMGTOTA-UHFFFAOYSA-N
XLogP3.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)-6-chloro-N-[5-(dicyclopropylmethyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628335
3-(benzenesulfonyl)-6-chloro-N-(5-cyclobutyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 118628356
3-(benzenesulfonyl)-6-chloro-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyridin-2-amine
CID 118628250
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868
2-chloro-N-pyridin-2-ylquinoline-6-sulfonamide
CID 43456606
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
8-chloro-N-pyridin-2-ylnaphthalene-1-sulfonamide
CID 3810068
1,2-bis(benzenesulfonyl)benzene
CID 19980733
3-(benzenesulfonyl)-2-N-[2-(methylamino)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-diamine
CID 118628221
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine (CID 118628306) is 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine is O=S(=O)(c1ccccc1)c1ccc(Cl)nc1Nc1ccccn1.
What is the InChIKey of 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is IBCHTTUAMGTOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2S/c17-14-10-9-13(23(21,22)12-6-2-1-3-7-12)16(19-14)20-15-8-4-5-11-18-15/h1-11H,(H,18,19,20).
What are the key properties of 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine?
3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 345.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-chloro-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 118628306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).