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

C12H15BrN2O3S — CID 110871266

IUPAC4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16)
InChIKeyPEBQTYDZLHSABW-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.21
Rot. Bonds3

About 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide

4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide (PubChem CID 110871266) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
PubChem CID110871266
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16)
InChIKeyPEBQTYDZLHSABW-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-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
2-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871264
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
N-(1-methylsulfonylpyrrolidin-3-yl)furan-2-carboxamide
CID 110871255
5-bromo-2-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47909698
3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 103826480
4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46566529
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide (CID 110871266) is 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
The InChIKey is PEBQTYDZLHSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-19(17,18)15-7-6-11(8-15)14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide?
4-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 4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110871266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).