4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine

C19H13ClN6O2S — CID 175673414

IUPAC4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-n4ccc5c(Cl)ncnc54)ncnc32)cc1
InChIInChI=1S/C19H13ClN6O2S/c1-12-2-4-13(5-3-12)29(27,28)26-9-7-15-18(23-11-24-19(15)26)25-8-6-14-16(20)21-10-22-17(14)25/h2-11H,1H3
InChIKeyZHKNSCHJRIWTAO-UHFFFAOYSA-N
MW424.87 g/mol
LogP3.36
Rot. Bonds3

About 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine

4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 175673414) has the molecular formula C19H13ClN6O2S and a molecular weight of 424.87 g/mol. Its IUPAC name is 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID175673414
Molecular FormulaC19H13ClN6O2S
Molecular Weight424.87 g/mol
Exact Mass424.05
IUPAC Name4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-n4ccc5c(Cl)ncnc54)ncnc32)cc1
InChIInChI=1S/C19H13ClN6O2S/c1-12-2-4-13(5-3-12)29(27,28)26-9-7-15-18(23-11-24-19(15)26)25-8-6-14-16(20)21-10-22-17(14)25/h2-11H,1H3
InChIKeyZHKNSCHJRIWTAO-UHFFFAOYSA-N
XLogP3.36
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.87
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

CID 164970592
CID 164970592
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
2-bromo-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]ethanone
CID 58691725
N-methyl-N-(3-methylcyclobutyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;zinc
CID 139484459
N-[3-(iodomethyl)cyclobutyl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 118868826
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
(3aR,6aS)-5-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 175380444
[3-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 86731132
N-benzyl-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-amine
CID 67066703
4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 175407920
5-(6-chloro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridin-4-one
CID 177335993
3-methyl-10-(4-methylphenyl)sulfonyl-3,4,5,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 141466911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine (CID 175673414) is 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine is Cc1ccc(S(=O)(=O)n2ccc3c(-n4ccc5c(Cl)ncnc54)ncnc32)cc1.
What is the InChIKey of 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZHKNSCHJRIWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O2S/c1-12-2-4-13(5-3-12)29(27,28)26-9-7-15-18(23-11-24-19(15)26)25-8-6-14-16(20)21-10-22-17(14)25/h2-11H,1H3.
What are the key properties of 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine?
4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 424.87 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 175673414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).