3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride

C17H19ClN4O2S — CID 10193970

IUPAC3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12
InChIInChI=1S/C17H18N4O2S.ClH/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21;/h1-7,12,18,20H,8-11H2;1H
InChIKeyVFFCYIRDWLAHPE-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.23
Rot. Bonds3

About 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride

3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 10193970) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID10193970
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12
InChIInChI=1S/C17H18N4O2S.ClH/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21;/h1-7,12,18,20H,8-11H2;1H
InChIKeyVFFCYIRDWLAHPE-UHFFFAOYSA-N
XLogP2.23
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
6-ethylsulfonyl-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 70684603
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
CID 10149997
2-[3-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethylamine
CID 10380133
3-(Phenylsulfonyl)-7-(1-piperazinyl)-1h-pyrrolo[3,2-b]pyridine
CID 44403277
2-(2'-Fluorobiphenyl-4-yl)-6-(methylsulfonyl)-1H-imidazo[4,5-b]pyridine
CID 44465474
3-(1H-benzo[d]imidazol-2-yl)-5-(4-(methylsulfonyl)phenyl)-pyrazin-2-amine
CID 52937663
3-[1-(Benzenesulfonyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395300
1-(Benzenesulfonyl)-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720436

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride (CID 10193970) is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride is Cl.O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12.
What is the InChIKey of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is VFFCYIRDWLAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S.ClH/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21;/h1-7,12,18,20H,8-11H2;1H.
What are the key properties of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride?
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 378.89 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 10193970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).