1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine

C17H18N4O2S — CID 67156504

IUPAC1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2
InChIKeyDIAFQUNSIKOTAR-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.68
Rot. Bonds3

About 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine

1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine (PubChem CID 67156504) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
PubChem CID67156504
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2
InChIKeyDIAFQUNSIKOTAR-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

DB-02197
CID 5288527
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CID 16750106
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3e
CID 6539028
Pyrrolopyrimidine 20
CID 23646632
3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949548
1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline
CID 90469114

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine (CID 67156504) is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The InChIKey is DIAFQUNSIKOTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine has a molecular weight of 342.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 67156504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).