4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide

C23H20N4O3S — CID 164625490

IUPAC4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3nccc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-20-11-13-21(14-12-20)31(28,29)27-19-9-7-18(8-10-19)25-23-24-16-15-22(26-23)17-5-3-2-4-6-17/h2-16,27H,1H3,(H,24,25,26)
InChIKeyWKXVNGWAHBTZOI-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.70
Rot. Bonds7

About 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide

4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 164625490) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID164625490
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Nc3nccc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-30-20-11-13-21(14-12-20)31(28,29)27-19-9-7-18(8-10-19)25-23-24-16-15-22(26-23)17-5-3-2-4-6-17/h2-16,27H,1H3,(H,24,25,26)
InChIKeyWKXVNGWAHBTZOI-UHFFFAOYSA-N
XLogP4.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-[4-(dimethylamino)phenyl]-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 25212381
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-[[4-[4-(2-aminophenoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 134146398
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide (CID 164625490) is 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Nc3nccc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is WKXVNGWAHBTZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-20-11-13-21(14-12-20)31(28,29)27-19-9-7-18(8-10-19)25-23-24-16-15-22(26-23)17-5-3-2-4-6-17/h2-16,27H,1H3,(H,24,25,26).
What are the key properties of 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 164625490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).