4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide

C16H21BrN2O5S — CID 4281658

IUPAC4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21BrN2O5S/c17-14-4-3-12(16(20)18-11-13-2-1-7-24-13)10-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20)
InChIKeyOEIHPIFQEKJGTJ-UHFFFAOYSA-N
MW433.32 g/mol
LogP1.38
Rot. Bonds5

About 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide

4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4281658) has the molecular formula C16H21BrN2O5S and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4281658
Molecular FormulaC16H21BrN2O5S
Molecular Weight433.32 g/mol
Exact Mass432.04
IUPAC Name4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21BrN2O5S/c17-14-4-3-12(16(20)18-11-13-2-1-7-24-13)10-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20)
InChIKeyOEIHPIFQEKJGTJ-UHFFFAOYSA-N
XLogP1.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide (CID 4281658) is 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OEIHPIFQEKJGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O5S/c17-14-4-3-12(16(20)18-11-13-2-1-7-24-13)10-15(14)25(21,22)19-5-8-23-9-6-19/h3-4,10,13H,1-2,5-9,11H2,(H,18,20).
What are the key properties of 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide?
4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 433.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4281658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).