2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H15BrF2N2O3S — CID 26694497

IUPAC2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H15BrF2N2O3S/c18-14-5-4-12(26(24,25)22-7-1-2-8-22)10-13(14)17(23)21-11-3-6-15(19)16(20)9-11/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyYTKUXEMOKCRYJF-UHFFFAOYSA-N
MW445.29 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26694497) has the molecular formula C17H15BrF2N2O3S and a molecular weight of 445.29 g/mol. Its IUPAC name is 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26694497
Molecular FormulaC17H15BrF2N2O3S
Molecular Weight445.29 g/mol
Exact Mass444.00
IUPAC Name2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H15BrF2N2O3S/c18-14-5-4-12(26(24,25)22-7-1-2-8-22)10-13(14)17(23)21-11-3-6-15(19)16(20)9-11/h3-6,9-10H,1-2,7-8H2,(H,21,23)
InChIKeyYTKUXEMOKCRYJF-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087511
2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
2-bromo-N-[2-(2-fluorophenyl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 39709170
N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083905
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26694497) is 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YTKUXEMOKCRYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O3S/c18-14-5-4-12(26(24,25)22-7-1-2-8-22)10-13(14)17(23)21-11-3-6-15(19)16(20)9-11/h3-6,9-10H,1-2,7-8H2,(H,21,23).
What are the key properties of 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 445.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26694497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).