N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

C16H14N4O2S — CID 121018139

IUPACN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1cccnc1
InChIInChI=1S/C16H14N4O2S/c21-23(22,15-2-1-6-18-12-15)20-11-13-3-9-19-16(10-13)14-4-7-17-8-5-14/h1-10,12,20H,11H2
InChIKeyACLGBSKFKFWMEG-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.02
Rot. Bonds5

About N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 121018139) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID121018139
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1cccnc1
InChIInChI=1S/C16H14N4O2S/c21-23(22,15-2-1-6-18-12-15)20-11-13-3-9-19-16(10-13)14-4-7-17-8-5-14/h1-10,12,20H,11H2
InChIKeyACLGBSKFKFWMEG-UHFFFAOYSA-N
XLogP2.02
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
4-(2-phenylethynyl)-N-[(2-phenyl-4-pyridinyl)methyl]benzenesulfonamide
CID 90137222
2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91630155
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
N-(1H-indol-5-ylmethyl)pyridine-3-sulfonamide
CID 169029432
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide (CID 121018139) is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1cccnc1.
What is the InChIKey of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is ACLGBSKFKFWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-23(22,15-2-1-6-18-12-15)20-11-13-3-9-19-16(10-13)14-4-7-17-8-5-14/h1-10,12,20H,11H2.
What are the key properties of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide?
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 121018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).