methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium

C14H22N3O5S+ — CID 123199853

IUPACmethoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium
SMILESCOc1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1[N+](=O)OC
InChIInChI=1S/C14H22N3O5S/c1-16-8-6-11(7-9-16)15-23(19,20)12-4-5-13(17(18)22-3)14(10-12)21-2/h4-5,10-11,15H,6-9H2,1-3H3/q+1
InChIKeyAGZMEFAWFLFMOI-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.04
Rot. Bonds6

About methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium

methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium (PubChem CID 123199853) has the molecular formula C14H22N3O5S+ and a molecular weight of 344.41 g/mol. Its IUPAC name is methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium
PubChem CID123199853
Molecular FormulaC14H22N3O5S+
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Namemethoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium
SMILESCOc1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1[N+](=O)OC
InChIInChI=1S/C14H22N3O5S/c1-16-8-6-11(7-9-16)15-23(19,20)12-4-5-13(17(18)22-3)14(10-12)21-2/h4-5,10-11,15H,6-9H2,1-3H3/q+1
InChIKeyAGZMEFAWFLFMOI-UHFFFAOYSA-N
XLogP1.04
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960491
2-methoxy-5-[(1-methylpiperidin-4-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 53283023
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 121454280
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
3-amino-N-(1-methylpyrrolidin-3-yl)-4-nitrobenzenesulfonamide
CID 82845629
methyl 3-[(1-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 100692122
5-bromo-N-(1-methylpiperidin-4-yl)-2-nitrobenzenesulfonamide
CID 61016123
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
2-methoxy-N-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 99967091

Frequently Asked Questions

What is the IUPAC name of methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium?
The IUPAC name of methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium (CID 123199853) is methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium?
The canonical SMILES for methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium is COc1cc(S(=O)(=O)NC2CCN(C)CC2)ccc1[N+](=O)OC.
What is the InChIKey of methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium?
The InChIKey is AGZMEFAWFLFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N3O5S/c1-16-8-6-11(7-9-16)15-23(19,20)12-4-5-13(17(18)22-3)14(10-12)21-2/h4-5,10-11,15H,6-9H2,1-3H3/q+1.
What are the key properties of methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium?
methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium has a molecular weight of 344.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2-methoxy-4-[(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-oxoazanium is sourced from PubChem (CID 123199853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).