N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

C11H15ClN4O2S — CID 119966914

IUPACN-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N4O2S.ClH/c16-18(17,15-8-3-5-12-6-8)10-7-14-11-9(10)2-1-4-13-11;/h1-2,4,7-8,12,15H,3,5-6H2,(H,13,14);1H
InChIKeyHGFNQXKRQRUDHF-UHFFFAOYSA-N
MW302.79 g/mol
LogP0.62
Rot. Bonds3

About N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride

N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (PubChem CID 119966914) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
PubChem CID119966914
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC NameN-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1c[nH]c2ncccc12
InChIInChI=1S/C11H14N4O2S.ClH/c16-18(17,15-8-3-5-12-6-8)10-7-14-11-9(10)2-1-4-13-11;/h1-2,4,7-8,12,15H,3,5-6H2,(H,13,14);1H
InChIKeyHGFNQXKRQRUDHF-UHFFFAOYSA-N
XLogP0.62
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
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3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
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2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (CID 119966914) is N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is HGFNQXKRQRUDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S.ClH/c16-18(17,15-8-3-5-12-6-8)10-7-14-11-9(10)2-1-4-13-11;/h1-2,4,7-8,12,15H,3,5-6H2,(H,13,14);1H.
What are the key properties of N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 302.79 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119966914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).