2-(benzenesulfonyl)pyridin-3-amine

C11H10N2O2S — CID 1477597

IUPAC2-(benzenesulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c12-10-7-4-8-13-11(10)16(14,15)9-5-2-1-3-6-9/h1-8H,12H2
InChIKeyBBHHCKVRKHMIKT-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.50
Rot. Bonds2

About 2-(benzenesulfonyl)pyridin-3-amine

2-(benzenesulfonyl)pyridin-3-amine (PubChem CID 1477597) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(benzenesulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)pyridin-3-amine
PubChem CID1477597
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(benzenesulfonyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c12-10-7-4-8-13-11(10)16(14,15)9-5-2-1-3-6-9/h1-8H,12H2
InChIKeyBBHHCKVRKHMIKT-UHFFFAOYSA-N
XLogP1.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)pyridin-3-amine?
The IUPAC name of 2-(benzenesulfonyl)pyridin-3-amine (CID 1477597) is 2-(benzenesulfonyl)pyridin-3-amine.
What is the SMILES notation for 2-(benzenesulfonyl)pyridin-3-amine?
The canonical SMILES for 2-(benzenesulfonyl)pyridin-3-amine is Nc1cccnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)pyridin-3-amine?
The InChIKey is BBHHCKVRKHMIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-10-7-4-8-13-11(10)16(14,15)9-5-2-1-3-6-9/h1-8H,12H2.
What are the key properties of 2-(benzenesulfonyl)pyridin-3-amine?
2-(benzenesulfonyl)pyridin-3-amine has a molecular weight of 234.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)pyridin-3-amine is sourced from PubChem (CID 1477597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).