1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine

C13H12N2O2S — CID 86768717

IUPAC1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2cnccc21
InChIInChI=1S/C13H12N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-10-14-8-6-13(11)15/h1-6,8,10H,7,9H2
InChIKeyPTPQLHFCPDREPD-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.83
Rot. Bonds2

About 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine

1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine (PubChem CID 86768717) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
PubChem CID86768717
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2cnccc21
InChIInChI=1S/C13H12N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-10-14-8-6-13(11)15/h1-6,8,10H,7,9H2
InChIKeyPTPQLHFCPDREPD-UHFFFAOYSA-N
XLogP1.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydropyrrolo[3,2-c]pyridine-1-sulfonamide
CID 130666144
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-(2-methoxypropylsulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 167990337
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
1-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
CID 99817972
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine (CID 86768717) is 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine is O=S(=O)(c1ccccc1)N1CCc2cnccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is PTPQLHFCPDREPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-18(17,12-4-2-1-3-5-12)15-9-7-11-10-14-8-6-13(11)15/h1-6,8,10H,7,9H2.
What are the key properties of 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine?
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 260.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86768717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).