N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

C21H17N5O3S — CID 170394362

IUPACN-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C21H17N5O3S/c22-19-12-11-15(14-23-19)18-13-20(29-16-7-3-1-4-8-16)25-21(24-18)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H2,22,23)(H,24,25,26)
InChIKeyGSUDBLUSQOSCKP-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.71
Rot. Bonds6

About N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide

N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170394362) has the molecular formula C21H17N5O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170394362
Molecular FormulaC21H17N5O3S
Molecular Weight419.47 g/mol
Exact Mass419.11
IUPAC NameN-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESNc1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cn1
InChIInChI=1S/C21H17N5O3S/c22-19-12-11-15(14-23-19)18-13-20(29-16-7-3-1-4-8-16)25-21(24-18)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H2,22,23)(H,24,25,26)
InChIKeyGSUDBLUSQOSCKP-UHFFFAOYSA-N
XLogP3.71
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-[4-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440
N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1,3-thiazole-5-sulfonamide
CID 170395225
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170394362) is N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is Nc1ccc(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cn1.
What is the InChIKey of N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is GSUDBLUSQOSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S/c22-19-12-11-15(14-23-19)18-13-20(29-16-7-3-1-4-8-16)25-21(24-18)26-30(27,28)17-9-5-2-6-10-17/h1-14H,(H2,22,23)(H,24,25,26).
What are the key properties of N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 419.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).