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

C14H21ClN4O2S — CID 119979349

IUPACN-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H20N4O2S.ClH/c19-21(20,18-8-5-11-3-1-6-15-9-11)13-10-17-14-12(13)4-2-7-16-14;/h2,4,7,10-11,15,18H,1,3,5-6,8-9H2,(H,16,17);1H
InChIKeyAVMRPEGBEAJZCS-UHFFFAOYSA-N
MW344.87 g/mol
LogP1.65
Rot. Bonds5

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

N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (PubChem CID 119979349) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
PubChem CID119979349
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC NameN-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H20N4O2S.ClH/c19-21(20,18-8-5-11-3-1-6-15-9-11)13-10-17-14-12(13)4-2-7-16-14;/h2,4,7,10-11,15,18H,1,3,5-6,8-9H2,(H,16,17);1H
InChIKeyAVMRPEGBEAJZCS-UHFFFAOYSA-N
XLogP1.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 104972664
N-(2-pyrrolidin-2-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 114794123
8-methyl-N-(2-piperidin-3-ylethyl)quinoline-5-sulfonamide;hydrochloride
CID 119979483
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119966914
2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
CID 106598475
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63627876
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride (CID 119979349) is N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCCNC1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
The InChIKey is AVMRPEGBEAJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S.ClH/c19-21(20,18-8-5-11-3-1-6-15-9-11)13-10-17-14-12(13)4-2-7-16-14;/h2,4,7,10-11,15,18H,1,3,5-6,8-9H2,(H,16,17);1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride has a molecular weight of 344.87 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119979349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).