3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide

C17H24N4O4S — CID 162799564

IUPAC3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide
SMILESCN1CCN(CC2OCC(NS(=O)(=O)c3cccc(C#N)c3)C2O)CC1
InChIInChI=1S/C17H24N4O4S/c1-20-5-7-21(8-6-20)11-16-17(22)15(12-25-16)19-26(23,24)14-4-2-3-13(9-14)10-18/h2-4,9,15-17,19,22H,5-8,11-12H2,1H3
InChIKeyNRRVRYYNHBDNTA-UHFFFAOYSA-N
MW380.47 g/mol
LogP-0.79
Rot. Bonds5

About 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide

3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide (PubChem CID 162799564) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide
PubChem CID162799564
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide
SMILESCN1CCN(CC2OCC(NS(=O)(=O)c3cccc(C#N)c3)C2O)CC1
InChIInChI=1S/C17H24N4O4S/c1-20-5-7-21(8-6-20)11-16-17(22)15(12-25-16)19-26(23,24)14-4-2-3-13(9-14)10-18/h2-4,9,15-17,19,22H,5-8,11-12H2,1H3
InChIKeyNRRVRYYNHBDNTA-UHFFFAOYSA-N
XLogP-0.79
TPSA105.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzenesulfonamide
CID 125417921
N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 162800033
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
N-[[(2R,3S,4R)-4-[(3-cyanophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]methanesulfonamide
CID 75536671
N-[(3S,4R,5S)-5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 125416986
N-[(3S,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-cyanobenzenesulfonamide
CID 129393228
3-cyano-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 94764478
2-[(3R,4S)-3-[(3-cyanophenyl)sulfonylamino]-4-cyclopropylpyrrolidin-1-yl]acetamide
CID 72865223
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide (CID 162799564) is 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide is CN1CCN(CC2OCC(NS(=O)(=O)c3cccc(C#N)c3)C2O)CC1.
What is the InChIKey of 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide?
The InChIKey is NRRVRYYNHBDNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-20-5-7-21(8-6-20)11-16-17(22)15(12-25-16)19-26(23,24)14-4-2-3-13(9-14)10-18/h2-4,9,15-17,19,22H,5-8,11-12H2,1H3.
What are the key properties of 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide?
3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 162799564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).