N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide

C20H21N3O2S — CID 126775893

IUPACN-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccc2)CC1)c1cccc2cnccc12
InChIInChI=1S/C20H21N3O2S/c24-26(25,20-8-4-5-16-15-21-12-9-19(16)20)22-17-10-13-23(14-11-17)18-6-2-1-3-7-18/h1-9,12,15,17,22H,10-11,13-14H2
InChIKeyRRZASDAWHNGZSF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.18
Rot. Bonds4

About N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide

N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide (PubChem CID 126775893) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
PubChem CID126775893
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccccc2)CC1)c1cccc2cnccc12
InChIInChI=1S/C20H21N3O2S/c24-26(25,20-8-4-5-16-15-21-12-9-19(16)20)22-17-10-13-23(14-11-17)18-6-2-1-3-7-18/h1-9,12,15,17,22H,10-11,13-14H2
InChIKeyRRZASDAWHNGZSF-UHFFFAOYSA-N
XLogP3.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 166282079
N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
CID 67873381
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)-2-propylhydrazine
CID 68844705
[4-[2-(isoquinolin-5-ylsulfonylamino)-3-(4-phenyl-1,4-diazepan-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
CID 142631967
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
CID 16748632
N-[1-(hydroxymethyl)cyclopropyl]isoquinoline-5-sulfonamide
CID 115902811
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
CID 129481887

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide (CID 126775893) is N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide is O=S(=O)(NC1CCN(c2ccccc2)CC1)c1cccc2cnccc12.
What is the InChIKey of N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide?
The InChIKey is RRZASDAWHNGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,20-8-4-5-16-15-21-12-9-19(16)20)22-17-10-13-23(14-11-17)18-6-2-1-3-7-18/h1-9,12,15,17,22H,10-11,13-14H2.
What are the key properties of N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide?
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 126775893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).