N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

C16H13N3O2S — CID 52936734

IUPACN-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-22(21,16-4-2-1-3-5-16)19-15-10-14(11-18-12-15)13-6-8-17-9-7-13/h1-12,19H
InChIKeyIDPDMDQTYQXJAJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.94
Rot. Bonds4

About N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide

N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 52936734) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
PubChem CID52936734
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-22(21,16-4-2-1-3-5-16)19-15-10-14(11-18-12-15)13-6-8-17-9-7-13/h1-12,19H
InChIKeyIDPDMDQTYQXJAJ-UHFFFAOYSA-N
XLogP2.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide (CID 52936734) is N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IDPDMDQTYQXJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-22(21,16-4-2-1-3-5-16)19-15-10-14(11-18-12-15)13-6-8-17-9-7-13/h1-12,19H.
What are the key properties of N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide?
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 311.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 52936734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).