2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C22H26BrN3O3S — CID 26520197

IUPAC2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C22H26BrN3O3S/c23-19-11-10-17(30(28,29)26-14-6-7-15-26)16-18(19)22(27)24-20-8-2-3-9-21(20)25-12-4-1-5-13-25/h2-3,8-11,16H,1,4-7,12-15H2,(H,24,27)
InChIKeyOBBQYMHTBPBMMM-UHFFFAOYSA-N
MW492.44 g/mol
LogP4.48
Rot. Bonds5

About 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26520197) has the molecular formula C22H26BrN3O3S and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26520197
Molecular FormulaC22H26BrN3O3S
Molecular Weight492.44 g/mol
Exact Mass491.09
IUPAC Name2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C22H26BrN3O3S/c23-19-11-10-17(30(28,29)26-14-6-7-15-26)16-18(19)22(27)24-20-8-2-3-9-21(20)25-12-4-1-5-13-25/h2-3,8-11,16H,1,4-7,12-15H2,(H,24,27)
InChIKeyOBBQYMHTBPBMMM-UHFFFAOYSA-N
XLogP4.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
2-bromo-5-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573617
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
2-bromo-N-[2-(dimethylamino)-3-pyridinyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55647459
N-(2-bromophenyl)-5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzamide
CID 4104108
2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26520197) is 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1N1CCCCC1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is OBBQYMHTBPBMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O3S/c23-19-11-10-17(30(28,29)26-14-6-7-15-26)16-18(19)22(27)24-20-8-2-3-9-21(20)25-12-4-1-5-13-25/h2-3,8-11,16H,1,4-7,12-15H2,(H,24,27).
What are the key properties of 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 492.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26520197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).