2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

C20H15ClFN3O2S — CID 118053070

IUPAC2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(F)c(C)c4)nc(Cl)nc32)cc1
InChIInChI=1S/C20H15ClFN3O2S/c1-12-3-6-15(7-4-12)28(26,27)25-10-9-16-18(23-20(21)24-19(16)25)14-5-8-17(22)13(2)11-14/h3-11H,1-2H3
InChIKeyOLEUGZRCDSZTCR-UHFFFAOYSA-N
MW415.88 g/mol
LogP4.74
Rot. Bonds3

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

2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (PubChem CID 118053070) has the molecular formula C20H15ClFN3O2S and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
PubChem CID118053070
Molecular FormulaC20H15ClFN3O2S
Molecular Weight415.88 g/mol
Exact Mass415.06
IUPAC Name2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(F)c(C)c4)nc(Cl)nc32)cc1
InChIInChI=1S/C20H15ClFN3O2S/c1-12-3-6-15(7-4-12)28(26,27)25-10-9-16-18(23-20(21)24-19(16)25)14-5-8-17(22)13(2)11-14/h3-11H,1-2H3
InChIKeyOLEUGZRCDSZTCR-UHFFFAOYSA-N
XLogP4.74
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(5-fluoro-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 166477668
4-chloro-2-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
CID 86644193
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137352450
2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 133060220
(4S)-3-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130344752
2-chloro-4-methyl-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidine
CID 142498326
CID 164970592
CID 164970592
ethane;3-(4-fluoro-3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine
CID 144647082
N-[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633635
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
8-chloro-13-methyl-5-(4-methylphenyl)sulfonyl-12-thia-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),3,7,11(15),13-hexaen-10-one
CID 68523112
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (CID 118053070) is 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(F)c(C)c4)nc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The InChIKey is OLEUGZRCDSZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2S/c1-12-3-6-15(7-4-12)28(26,27)25-10-9-16-18(23-20(21)24-19(16)25)14-5-8-17(22)13(2)11-14/h3-11H,1-2H3.
What are the key properties of 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine has a molecular weight of 415.88 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluoro-3-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118053070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).