2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide

C18H26BrN3O4S — CID 35162191

IUPAC2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C18H26BrN3O4S/c19-17-5-4-15(27(24,25)22-7-2-1-3-8-22)14-16(17)18(23)20-6-9-21-10-12-26-13-11-21/h4-5,14H,1-3,6-13H2,(H,20,23)
InChIKeyXXDRUNSCDYQMPD-UHFFFAOYSA-N
MW460.39 g/mol
LogP1.69
Rot. Bonds6

About 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide

2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 35162191) has the molecular formula C18H26BrN3O4S and a molecular weight of 460.39 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID35162191
Molecular FormulaC18H26BrN3O4S
Molecular Weight460.39 g/mol
Exact Mass459.08
IUPAC Name2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br
InChIInChI=1S/C18H26BrN3O4S/c19-17-5-4-15(27(24,25)22-7-2-1-3-8-22)14-16(17)18(23)20-6-9-21-10-12-26-13-11-21/h4-5,14H,1-3,6-13H2,(H,20,23)
InChIKeyXXDRUNSCDYQMPD-UHFFFAOYSA-N
XLogP1.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(3-methylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26253332
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 9442255
N-[3-(azepan-1-yl)propyl]-2-bromo-5-sulfamoylbenzamide
CID 134057435
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
2-bromo-N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 39709170
2-bromo-N-[3-(2-methylimidazol-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55959113
2-bromo-5-morpholin-4-ylsulfonylbenzoic acid
CID 802146
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 35162191) is 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide is O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is XXDRUNSCDYQMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O4S/c19-17-5-4-15(27(24,25)22-7-2-1-3-8-22)14-16(17)18(23)20-6-9-21-10-12-26-13-11-21/h4-5,14H,1-3,6-13H2,(H,20,23).
What are the key properties of 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide?
2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 460.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 35162191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).