2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

C14H13ClN4O2S — CID 133060220

IUPAC2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O2S/c1-8-3-5-10(6-4-8)22(20,21)19-7-9(2)11-12(16)17-14(15)18-13(11)19/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyWLISJCNJQPFDNL-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 133060220) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID133060220
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3c(N)nc(Cl)nc32)cc1
InChIInChI=1S/C14H13ClN4O2S/c1-8-3-5-10(6-4-8)22(20,21)19-7-9(2)11-12(16)17-14(15)18-13(11)19/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyWLISJCNJQPFDNL-UHFFFAOYSA-N
XLogP2.52
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (CID 133060220) is 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)n2cc(C)c3c(N)nc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WLISJCNJQPFDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-8-3-5-10(6-4-8)22(20,21)19-7-9(2)11-12(16)17-14(15)18-13(11)19/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 336.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133060220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).