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

C13H19ClN4O2S — CID 120726819

IUPACN-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-9-11(5-3-6-14-9)17-20(18,19)12-8-16-13-10(12)4-2-7-15-13;/h2,4,7-9,11,14,17H,3,5-6H2,1H3,(H,15,16);1H
InChIKeyNVRSOXREQAFHSN-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.40
Rot. Bonds3

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

N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (PubChem CID 120726819) has the molecular formula C13H19ClN4O2S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
PubChem CID120726819
Molecular FormulaC13H19ClN4O2S
Molecular Weight330.84 g/mol
Exact Mass330.09
IUPAC NameN-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCC1NCCCC1NS(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C13H18N4O2S.ClH/c1-9-11(5-3-6-14-9)17-20(18,19)12-8-16-13-10(12)4-2-7-15-13;/h2,4,7-9,11,14,17H,3,5-6H2,1H3,(H,15,16);1H
InChIKeyNVRSOXREQAFHSN-UHFFFAOYSA-N
XLogP1.40
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
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CID 104972664
N-(2-pyrrolidin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
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N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96513793
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349
3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
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4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (CID 120726819) is N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is CC1NCCCC1NS(=O)(=O)c1c[nH]c2ncccc12.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is NVRSOXREQAFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S.ClH/c1-9-11(5-3-6-14-9)17-20(18,19)12-8-16-13-10(12)4-2-7-15-13;/h2,4,7-9,11,14,17H,3,5-6H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120726819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).