N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate

C15H23N3O5S — CID 23621400

IUPACN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NC12CCN(CC1)CC2.O
InChIInChI=1S/C15H21N3O4S.H2O/c1-22-13-3-2-11(23(16,20)21)10-12(13)14(19)17-15-4-7-18(8-5-15)9-6-15;/h2-3,10H,4-9H2,1H3,(H,17,19)(H2,16,20,21);1H2
InChIKeyRMUDRLMNMGUHAO-UHFFFAOYSA-N
MW357.43 g/mol
LogP-0.51
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate

N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate (PubChem CID 23621400) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate
PubChem CID23621400
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NC12CCN(CC1)CC2.O
InChIInChI=1S/C15H21N3O4S.H2O/c1-22-13-3-2-11(23(16,20)21)10-12(13)14(19)17-15-4-7-18(8-5-15)9-6-15;/h2-3,10H,4-9H2,1H3,(H,17,19)(H2,16,20,21);1H2
InChIKeyRMUDRLMNMGUHAO-UHFFFAOYSA-N
XLogP-0.51
TPSA133.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
2-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-5-sulfamoylbenzamide
CID 3075862
N-(2-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115687261
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633
3-[[(4-fluorobenzoyl)amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7964817

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate (CID 23621400) is N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate is COc1ccc(S(N)(=O)=O)cc1C(=O)NC12CCN(CC1)CC2.O.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate?
The InChIKey is RMUDRLMNMGUHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S.H2O/c1-22-13-3-2-11(23(16,20)21)10-12(13)14(19)17-15-4-7-18(8-5-15)9-6-15;/h2-3,10H,4-9H2,1H3,(H,17,19)(H2,16,20,21);1H2.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate?
N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate has a molecular weight of 357.43 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide;hydrate is sourced from PubChem (CID 23621400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).