2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H16Br2N2O3S — CID 26913737

IUPAC2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H16Br2N2O3S/c18-14-8-7-12(25(23,24)21-9-3-4-10-21)11-13(14)17(22)20-16-6-2-1-5-15(16)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyXBLJATWOOCGROR-UHFFFAOYSA-N
MW488.20 g/mol
LogP4.25
Rot. Bonds4

About 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26913737) has the molecular formula C17H16Br2N2O3S and a molecular weight of 488.20 g/mol. Its IUPAC name is 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26913737
Molecular FormulaC17H16Br2N2O3S
Molecular Weight488.20 g/mol
Exact Mass485.92
IUPAC Name2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H16Br2N2O3S/c18-14-8-7-12(25(23,24)21-9-3-4-10-21)11-13(14)17(22)20-16-6-2-1-5-15(16)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyXBLJATWOOCGROR-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
2-bromo-N-[2-(dimethylamino)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
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2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
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CID 4104108
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26694497
N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55837158
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-bromo-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26362599

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26913737) is 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1Br)c1cc(S(=O)(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is XBLJATWOOCGROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3S/c18-14-8-7-12(25(23,24)21-9-3-4-10-21)11-13(14)17(22)20-16-6-2-1-5-15(16)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 488.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26913737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).