2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride

C16H26Cl2N4O4S — CID 119428703

IUPAC2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C16H24N4O4S.2ClH/c17-25(22,23)13-3-4-15(20-6-8-24-9-7-20)14(10-13)16(21)19-12-2-1-5-18-11-12;;/h3-4,10,12,18H,1-2,5-9,11H2,(H,19,21)(H2,17,22,23);2*1H
InChIKeyYHXYCXWQIGBVMY-UHFFFAOYSA-N
MW441.38 g/mol
LogP0.50
Rot. Bonds4

About 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride

2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride (PubChem CID 119428703) has the molecular formula C16H26Cl2N4O4S and a molecular weight of 441.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
PubChem CID119428703
Molecular FormulaC16H26Cl2N4O4S
Molecular Weight441.38 g/mol
Exact Mass440.11
IUPAC Name2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2CCCNC2)c1
InChIInChI=1S/C16H24N4O4S.2ClH/c17-25(22,23)13-3-4-15(20-6-8-24-9-7-20)14(10-13)16(21)19-12-2-1-5-18-11-12;;/h3-4,10,12,18H,1-2,5-9,11H2,(H,19,21)(H2,17,22,23);2*1H
InChIKeyYHXYCXWQIGBVMY-UHFFFAOYSA-N
XLogP0.50
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-N-piperidin-3-yl-2-pyrrolidin-1-ylbenzamide
CID 119429055
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-piperidin-3-ylbenzamide
CID 119427536
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
2-morpholin-4-ylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427667
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130
2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 27839021
N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55971836
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 55375113

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride (CID 119428703) is 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride is Cl.Cl.NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC2CCCNC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride?
The InChIKey is YHXYCXWQIGBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.2ClH/c17-25(22,23)13-3-4-15(20-6-8-24-9-7-20)14(10-13)16(21)19-12-2-1-5-18-11-12;;/h3-4,10,12,18H,1-2,5-9,11H2,(H,19,21)(H2,17,22,23);2*1H.
What are the key properties of 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride?
2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride has a molecular weight of 441.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-piperidin-3-yl-5-sulfamoylbenzamide;dihydrochloride is sourced from PubChem (CID 119428703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).