N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide

C15H13N5O2S — CID 52936735

IUPACN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESNc1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C15H13N5O2S/c16-15-18-8-12(9-19-15)11-6-13(10-17-7-11)20-23(21,22)14-4-2-1-3-5-14/h1-10,20H,(H2,16,18,19)
InChIKeyDFBMXBWVMGQTRN-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.92
Rot. Bonds4

About N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52936735) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52936735
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESNc1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C15H13N5O2S/c16-15-18-8-12(9-19-15)11-6-13(10-17-7-11)20-23(21,22)14-4-2-1-3-5-14/h1-10,20H,(H2,16,18,19)
InChIKeyDFBMXBWVMGQTRN-UHFFFAOYSA-N
XLogP1.92
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
2-amino-N-phenylpyrimidine-5-sulfonamide
CID 46360874
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 68508597
N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 157323152
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738
N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 71049428
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 42623384
N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 59406555
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 52936735) is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide is Nc1ncc(-c2cncc(NS(=O)(=O)c3ccccc3)c2)cn1.
What is the InChIKey of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is DFBMXBWVMGQTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c16-15-18-8-12(9-19-15)11-6-13(10-17-7-11)20-23(21,22)14-4-2-1-3-5-14/h1-10,20H,(H2,16,18,19).
What are the key properties of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 327.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).