N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide

C17H24N4O2S — CID 175644954

IUPACN-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(n2ccc3cccnc32)CC1)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c22-24(23,20-11-1-2-12-20)19-15-5-7-16(8-6-15)21-13-9-14-4-3-10-18-17(14)21/h3-4,9-10,13,15-16,19H,1-2,5-8,11-12H2
InChIKeyFTLNZOFPNZBBGB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.45
Rot. Bonds4

About N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide

N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide (PubChem CID 175644954) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide
PubChem CID175644954
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NC1CCC(n2ccc3cccnc32)CC1)N1CCCC1
InChIInChI=1S/C17H24N4O2S/c22-24(23,20-11-1-2-12-20)19-15-5-7-16(8-6-15)21-13-9-14-4-3-10-18-17(14)21/h3-4,9-10,13,15-16,19H,1-2,5-8,11-12H2
InChIKeyFTLNZOFPNZBBGB-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126934326
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
CID 121016353
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
4-hydroxy-N-quinolin-8-ylpiperidine-1-sulfonamide
CID 167892324
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 126935996
1-cyclopropyl-N-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 84597196
N-pyrrolo[2,3-b]pyridin-1-ylcyclopropanecarboxamide
CID 163598022
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
2-(piperidin-1-ylsulfonylamino)pyridine-3-carboxylic acid
CID 63654456

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide (CID 175644954) is N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide is O=S(=O)(NC1CCC(n2ccc3cccnc32)CC1)N1CCCC1.
What is the InChIKey of N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide?
The InChIKey is FTLNZOFPNZBBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-24(23,20-11-1-2-12-20)19-15-5-7-16(8-6-15)21-13-9-14-4-3-10-18-17(14)21/h3-4,9-10,13,15-16,19H,1-2,5-8,11-12H2.
What are the key properties of N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide?
N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolo[2,3-b]pyridin-1-ylcyclohexyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 175644954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).