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

C23H20N4O3S — CID 163247412

IUPAC3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cccc(N)c2)n1
InChIInChI=1S/C23H20N4O3S/c1-16-8-5-6-13-20(16)21-15-22(30-18-10-3-2-4-11-18)26-23(25-21)27-31(28,29)19-12-7-9-17(24)14-19/h2-15H,24H2,1H3,(H,25,26,27)
InChIKeyZAZKRAGIVOOCAQ-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.63
Rot. Bonds6

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

3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (PubChem CID 163247412) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
PubChem CID163247412
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cccc(N)c2)n1
InChIInChI=1S/C23H20N4O3S/c1-16-8-5-6-13-20(16)21-15-22(30-18-10-3-2-4-11-18)26-23(25-21)27-31(28,29)19-12-7-9-17(24)14-19/h2-15H,24H2,1H3,(H,25,26,27)
InChIKeyZAZKRAGIVOOCAQ-UHFFFAOYSA-N
XLogP4.63
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(2-methylphenoxy)-6-(2-methylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 163247404
3-amino-N-[4-(4-chlorophenoxy)-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 170392697
3-amino-N-[4-[3-(dimethylamino)phenoxy]-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 163247259
N-[4-(2-hydroxyphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394424
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-phenoxy-6-[2-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]benzenesulfonamide
CID 170394440
3-amino-N-[4-chloro-6-(2-methylphenyl)-5-propan-2-ylpyrimidin-2-yl]benzenesulfonamide
CID 163246934
3-amino-N-[5-(2-methoxyphenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393218
3-amino-N-[4-[4-chloro-3-(1-methylpiperidin-4-yl)phenoxy]-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]benzenesulfonamide
CID 163247280
3-amino-N-[5-(2-chlorophenyl)-4-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170393217
4-[2-(benzenesulfonamido)-6-phenoxypyrimidin-4-yl]benzoic acid
CID 170394517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide (CID 163247412) is 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is Cc1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cccc(N)c2)n1.
What is the InChIKey of 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
The InChIKey is ZAZKRAGIVOOCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-16-8-5-6-13-20(16)21-15-22(30-18-10-3-2-4-11-18)26-23(25-21)27-31(28,29)19-12-7-9-17(24)14-19/h2-15H,24H2,1H3,(H,25,26,27).
What are the key properties of 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide?
3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methylphenyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 163247412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).