7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine

C13H9BrClN3O2S — CID 135283806

IUPAC7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(Br)cn(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C13H9BrClN3O2S/c1-8-16-12(15)11-10(14)7-18(13(11)17-8)21(19,20)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJWACZSSMCZVGCQ-UHFFFAOYSA-N
MW386.66 g/mol
LogP3.39
Rot. Bonds2

About 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine

7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 135283806) has the molecular formula C13H9BrClN3O2S and a molecular weight of 386.66 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
PubChem CID135283806
Molecular FormulaC13H9BrClN3O2S
Molecular Weight386.66 g/mol
Exact Mass384.93
IUPAC Name7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(Br)cn(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C13H9BrClN3O2S/c1-8-16-12(15)11-10(14)7-18(13(11)17-8)21(19,20)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJWACZSSMCZVGCQ-UHFFFAOYSA-N
XLogP3.39
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(benzenesulfonyl)-5-iodo-2,4-dimethylpyrrolo[2,3-d]pyrimidine
CID 10597822
7-(benzenesulfonyl)-6-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 155686533
7-(benzenesulfonyl)-2-chloro-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137288248
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine
CID 144507194
1-(benzenesulfonyl)-3-bromo-6-isocyanopyrrolo[2,3-b]pyridine
CID 167376001
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
1-(benzenesulfonyl)-3-bromo-6,7-dichloroindole
CID 170427261
1-[7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpiperidin-4-amine
CID 67988152
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
5-(benzenesulfonyl)-3-bromo-10-methylspiro[5,7,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-12,1'-cyclopentane]-11-one
CID 164943788
7-benzylsulfonyl-5-bromo-4-chloropyrrolo[2,3-d]pyrimidine
CID 141235326
4-chloro-3-iodo-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 118190050

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine (CID 135283806) is 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2c(Br)cn(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is JWACZSSMCZVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O2S/c1-8-16-12(15)11-10(14)7-18(13(11)17-8)21(19,20)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine?
7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 386.66 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 135283806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).