5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C26H21ClN4O2S — CID 175699340

IUPAC5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(-c3cccc(Cl)c3)c3c(N)nc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C26H21ClN4O2S/c1-16-11-13-21(14-12-16)34(32,33)31-17(2)22(19-9-6-10-20(27)15-19)23-24(28)29-25(30-26(23)31)18-7-4-3-5-8-18/h3-15H,1-2H3,(H2,28,29,30)
InChIKeyDYWBLLCYEYYOTM-UHFFFAOYSA-N
MW489.00 g/mol
LogP5.85
Rot. Bonds4

About 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine

5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 175699340) has the molecular formula C26H21ClN4O2S and a molecular weight of 489.00 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID175699340
Molecular FormulaC26H21ClN4O2S
Molecular Weight489.00 g/mol
Exact Mass488.11
IUPAC Name5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(-c3cccc(Cl)c3)c3c(N)nc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C26H21ClN4O2S/c1-16-11-13-21(14-12-16)34(32,33)31-17(2)22(19-9-6-10-20(27)15-19)23-24(28)29-25(30-26(23)31)18-7-4-3-5-8-18/h3-15H,1-2H3,(H2,28,29,30)
InChIKeyDYWBLLCYEYYOTM-UHFFFAOYSA-N
XLogP5.85
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.00
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-cyclopropyl-2-(4-fluorophenyl)-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 175699316
7-(benzenesulfonyl)-4-chloro-6-methyl-2-phenylpyrrolo[2,3-d]pyrimidine
CID 59128311
8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
CID 134717316
2-methyl-1-[[6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 163204360
1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
4,9-dichloro-7-(4-methylphenyl)sulfonyl-2-phenyl-5,6-dihydropyrimido[5,4-d][1]benzazepine
CID 139226330
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 133060220
3-methyl-2-(4-methylphenyl)sulfonyl-1-phenyl-6,7-dihydropyrano[3,4-c]pyrrol-4-one
CID 132595345
(4-chlorophenyl)-[3-(4-methylphenyl)sulfonyl-2-phenylimidazol-4-yl]methanol
CID 171986052
1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazole
CID 42730228

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 175699340) is 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)n2c(C)c(-c3cccc(Cl)c3)c3c(N)nc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DYWBLLCYEYYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2S/c1-16-11-13-21(14-12-16)34(32,33)31-17(2)22(19-9-6-10-20(27)15-19)23-24(28)29-25(30-26(23)31)18-7-4-3-5-8-18/h3-15H,1-2H3,(H2,28,29,30).
What are the key properties of 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 489.00 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 175699340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).