1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride

C19H22ClN3O2S — CID 175447173

IUPAC1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)n1cc(C2CCNCC2)c2cnccc21
InChIInChI=1S/C19H21N3O2S.ClH/c23-25(24,14-15-4-2-1-3-5-15)22-13-18(16-6-9-20-10-7-16)17-12-21-11-8-19(17)22;/h1-5,8,11-13,16,20H,6-7,9-10,14H2;1H
InChIKeyMSXJSIFDPAONRD-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.30
Rot. Bonds4

About 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride

1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride (PubChem CID 175447173) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride
PubChem CID175447173
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)n1cc(C2CCNCC2)c2cnccc21
InChIInChI=1S/C19H21N3O2S.ClH/c23-25(24,14-15-4-2-1-3-5-15)22-13-18(16-6-9-20-10-7-16)17-12-21-11-8-19(17)22;/h1-5,8,11-13,16,20H,6-7,9-10,14H2;1H
InChIKeyMSXJSIFDPAONRD-UHFFFAOYSA-N
XLogP3.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(piperidin-4-ylsulfonylmethyl)pyridine;hydrochloride
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4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
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CID 46204538
1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
CID 112533773
4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638
N-methyl-N-piperidin-4-yl-1-pyridin-4-ylmethanesulfonamide
CID 71641545
8-chloro-5-piperidin-4-ylisoquinoline
CID 130378032
3-methyl-4-piperidin-4-ylpyridine
CID 64985067
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The IUPAC name of 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride (CID 175447173) is 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)n1cc(C2CCNCC2)c2cnccc21.
What is the InChIKey of 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride?
The InChIKey is MSXJSIFDPAONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.ClH/c23-25(24,14-15-4-2-1-3-5-15)22-13-18(16-6-9-20-10-7-16)17-12-21-11-8-19(17)22;/h1-5,8,11-13,16,20H,6-7,9-10,14H2;1H.
What are the key properties of 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride?
1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 175447173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).