2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

C16H15Cl2N3O2S — CID 154681099

IUPAC2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C)c3c(Cl)nc(Cl)nc32)c(C)c1
InChIInChI=1S/C16H15Cl2N3O2S/c1-8-5-9(2)13(10(3)6-8)24(22,23)21-7-11(4)12-14(17)19-16(18)20-15(12)21/h5-7H,1-4H3
InChIKeyJCFGZCYNGAEFBL-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.21
Rot. Bonds2

About 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (PubChem CID 154681099) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
PubChem CID154681099
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)c(S(=O)(=O)n2cc(C)c3c(Cl)nc(Cl)nc32)c(C)c1
InChIInChI=1S/C16H15Cl2N3O2S/c1-8-5-9(2)13(10(3)6-8)24(22,23)21-7-11(4)12-14(17)19-16(18)20-15(12)21/h5-7H,1-4H3
InChIKeyJCFGZCYNGAEFBL-UHFFFAOYSA-N
XLogP4.21
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 133060220
tert-butyl 2,4-dichloro-5-methylpyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 133054973
7-(benzenesulfonyl)-2-chloro-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137288248
4-chloro-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 11638352
1-[6-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 121473450
2-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylimidazole
CID 7574687
4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 118190050
3-bromo-1-(2,4,6-trimethylphenyl)sulfonylindole
CID 13349625
3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
CID 976679
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2,4-dichloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
CID 89460082
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (CID 154681099) is 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is Cc1cc(C)c(S(=O)(=O)n2cc(C)c3c(Cl)nc(Cl)nc32)c(C)c1.
What is the InChIKey of 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The InChIKey is JCFGZCYNGAEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-8-5-9(2)13(10(3)6-8)24(22,23)21-7-11(4)12-14(17)19-16(18)20-15(12)21/h5-7H,1-4H3.
What are the key properties of 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine has a molecular weight of 384.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-7-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 154681099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).