1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine

C13H11BrN4O2S — CID 144507194

IUPAC1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine
SMILESNc1cnc2c(c(Br)cn2S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C13H11BrN4O2S/c14-9-7-18(13-11(9)12(16)10(15)6-17-13)21(19,20)8-4-2-1-3-5-8/h1-7H,15H2,(H2,16,17)
InChIKeyXOHSQIIMVZHQEA-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.20
Rot. Bonds2

About 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine

1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine (PubChem CID 144507194) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine
PubChem CID144507194
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine
SMILESNc1cnc2c(c(Br)cn2S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C13H11BrN4O2S/c14-9-7-18(13-11(9)12(16)10(15)6-17-13)21(19,20)8-4-2-1-3-5-8/h1-7H,15H2,(H2,16,17)
InChIKeyXOHSQIIMVZHQEA-UHFFFAOYSA-N
XLogP2.20
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(benzenesulfonyl)-5-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 135283806
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
1-(benzenesulfonyl)-4-N-methylpyrrolo[2,3-b]pyridine-4,5-diamine
CID 177039469
1-[7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpiperidin-4-amine
CID 67988152
1-(benzenesulfonyl)-3-bromo-6-isocyanopyrrolo[2,3-b]pyridine
CID 167376001
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
[4-[10-(benzenesulfonyl)-12-bromo-4-oxo-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]-1-methylcyclohexyl]carbamic acid
CID 174241040
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine
CID 45074561
4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 67330242
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
1-(benzenesulfonyl)indol-3-amine
CID 142808384

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine?
The IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine (CID 144507194) is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine is Nc1cnc2c(c(Br)cn2S(=O)(=O)c2ccccc2)c1N.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine?
The InChIKey is XOHSQIIMVZHQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c14-9-7-18(13-11(9)12(16)10(15)6-17-13)21(19,20)8-4-2-1-3-5-8/h1-7H,15H2,(H2,16,17).
What are the key properties of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine?
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine has a molecular weight of 367.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine-4,5-diamine is sourced from PubChem (CID 144507194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).