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

C18H12ClN3O2S — CID 20612406

IUPAC7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(-c3ccccc3)nc21
InChIInChI=1S/C18H12ClN3O2S/c19-16-15-11-12-22(25(23,24)14-9-5-2-6-10-14)18(15)21-17(20-16)13-7-3-1-4-8-13/h1-12H
InChIKeyZDXMIROBGXIZOK-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.99
Rot. Bonds3

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

7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 20612406) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID20612406
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(-c3ccccc3)nc21
InChIInChI=1S/C18H12ClN3O2S/c19-16-15-11-12-22(25(23,24)14-9-5-2-6-10-14)18(15)21-17(20-16)13-7-3-1-4-8-13/h1-12H
InChIKeyZDXMIROBGXIZOK-UHFFFAOYSA-N
XLogP3.99
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine (CID 20612406) is 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine is O=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(-c3ccccc3)nc21.
What is the InChIKey of 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is ZDXMIROBGXIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-16-15-11-12-22(25(23,24)14-9-5-2-6-10-14)18(15)21-17(20-16)13-7-3-1-4-8-13/h1-12H.
What are the key properties of 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine?
7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 369.83 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 20612406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).