7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine

C12H7Cl2N3O2S — CID 25231163

IUPAC7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H7Cl2N3O2S/c13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8/h1-7H
InChIKeyZGWRYMWYEXGDNI-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.98
Rot. Bonds2

About 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine

7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine (PubChem CID 25231163) has the molecular formula C12H7Cl2N3O2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine
PubChem CID25231163
Molecular FormulaC12H7Cl2N3O2S
Molecular Weight328.18 g/mol
Exact Mass326.96
IUPAC Name7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C12H7Cl2N3O2S/c13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8/h1-7H
InChIKeyZGWRYMWYEXGDNI-UHFFFAOYSA-N
XLogP2.98
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine (CID 25231163) is 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine is O=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine?
The InChIKey is ZGWRYMWYEXGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2S/c13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine?
7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine has a molecular weight of 328.18 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 25231163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).