2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide

C12H15BrN2O3S — CID 110871264

IUPAC2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-9(8-15)14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyILWUAZUMZWEJLJ-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.21
Rot. Bonds3

About 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide

2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide (PubChem CID 110871264) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
PubChem CID110871264
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccccc2Br)C1
InChIInChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-9(8-15)14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,16)
InChIKeyILWUAZUMZWEJLJ-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
2-(methylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 61378831
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
2-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99696788
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
1-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-oxopyridine-3-carboxamide
CID 146086459
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
2-amino-5-hydroxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 107074192

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The IUPAC name of 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide (CID 110871264) is 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2ccccc2Br)C1.
What is the InChIKey of 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The InChIKey is ILWUAZUMZWEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-9(8-15)14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,16).
What are the key properties of 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide has a molecular weight of 347.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110871264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).