2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide

C16H19BrN2O4S — CID 171586683

IUPAC2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(=O)C3)cc1Br
InChIInChI=1S/C16H19BrN2O4S/c1-24(22,23)18-15(21)13-3-2-11(8-14(13)17)19-6-4-16(5-7-19)9-12(20)10-16/h2-3,8H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyLDDBZOAMONASIL-UHFFFAOYSA-N
MW415.31 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide

2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide (PubChem CID 171586683) has the molecular formula C16H19BrN2O4S and a molecular weight of 415.31 g/mol. Its IUPAC name is 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide
PubChem CID171586683
Molecular FormulaC16H19BrN2O4S
Molecular Weight415.31 g/mol
Exact Mass414.02
IUPAC Name2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(=O)C3)cc1Br
InChIInChI=1S/C16H19BrN2O4S/c1-24(22,23)18-15(21)13-3-2-11(8-14(13)17)19-6-4-16(5-7-19)9-12(20)10-16/h2-3,8H,4-7,9-10H2,1H3,(H,18,21)
InChIKeyLDDBZOAMONASIL-UHFFFAOYSA-N
XLogP2.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide
CID 155600900
1-[2-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068673
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453
2-amino-4-bromo-N-methylsulfonylbenzamide
CID 103287307
2-amino-4-(8-azaspiro[4.5]decan-8-yl)benzoic acid
CID 104500617
methyl 2-amino-5-(8-azaspiro[4.5]decan-8-yl)benzoate
CID 63161957
2-bromo-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzoic acid
CID 107282122
methyl 2-bromo-4-[4-(dimethoxymethyl)piperidin-1-yl]benzoate
CID 162741686
4-(4-aminopiperidin-1-yl)-2-bromobenzamide
CID 107280577
1-(3-bromo-4-methylsulfonylphenyl)piperidine
CID 169336524
1-[2-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114068730
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide?
The IUPAC name of 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide (CID 171586683) is 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide.
What is the SMILES notation for 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide?
The canonical SMILES for 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide is CS(=O)(=O)NC(=O)c1ccc(N2CCC3(CC2)CC(=O)C3)cc1Br.
What is the InChIKey of 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide?
The InChIKey is LDDBZOAMONASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4S/c1-24(22,23)18-15(21)13-3-2-11(8-14(13)17)19-6-4-16(5-7-19)9-12(20)10-16/h2-3,8H,4-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide?
2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide has a molecular weight of 415.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methylsulfonyl-4-(2-oxo-7-azaspiro[3.5]nonan-7-yl)benzamide is sourced from PubChem (CID 171586683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).