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

C20H15N3O4S — CID 170415389

IUPACN-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccoc2)n1)c1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-28(25,17-9-5-2-6-10-17)23-20-21-18(15-11-12-26-14-15)13-19(22-20)27-16-7-3-1-4-8-16/h1-14H,(H,21,22,23)
InChIKeyBROXUZNEGJRYQJ-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.33
Rot. Bonds6

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

N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 170415389) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID170415389
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC NameN-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccoc2)n1)c1ccccc1
InChIInChI=1S/C20H15N3O4S/c24-28(25,17-9-5-2-6-10-17)23-20-21-18(15-11-12-26-14-15)13-19(22-20)27-16-7-3-1-4-8-16/h1-14H,(H,21,22,23)
InChIKeyBROXUZNEGJRYQJ-UHFFFAOYSA-N
XLogP4.33
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
N-[4-(5-fluoro-2-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394328
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
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394342
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
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247412
N-[4-(4,4-dimethyloxan-2-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 163247827

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 170415389) is N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccoc2)n1)c1ccccc1.
What is the InChIKey of N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is BROXUZNEGJRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-28(25,17-9-5-2-6-10-17)23-20-21-18(15-11-12-26-14-15)13-19(22-20)27-16-7-3-1-4-8-16/h1-14H,(H,21,22,23).
What are the key properties of N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 393.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 170415389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).