N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C21H26BrN3O3S — CID 112762557

IUPACN-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1Br
InChIInChI=1S/C21H26BrN3O3S/c1-15(17-8-4-5-9-19(17)22)23-21(26)18-14-16(29(27,28)24(2)3)10-11-20(18)25-12-6-7-13-25/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,23,26)
InChIKeyCWEOQDPDRCLTET-UHFFFAOYSA-N
MW480.43 g/mol
LogP3.79
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 112762557) has the molecular formula C21H26BrN3O3S and a molecular weight of 480.43 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID112762557
Molecular FormulaC21H26BrN3O3S
Molecular Weight480.43 g/mol
Exact Mass479.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1Br
InChIInChI=1S/C21H26BrN3O3S/c1-15(17-8-4-5-9-19(17)22)23-21(26)18-14-16(29(27,28)24(2)3)10-11-20(18)25-12-6-7-13-25/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,23,26)
InChIKeyCWEOQDPDRCLTET-UHFFFAOYSA-N
XLogP3.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-[1-(1-benzofuran-2-yl)ethyl]-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 16563524
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
2-[[5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]amino]butanoic acid
CID 119223258
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
N-[1-(2,5-difluorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 46588089
N-(2-amino-1-cyclopropylethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 119617620
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 112762557) is N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CC(NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is CWEOQDPDRCLTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3S/c1-15(17-8-4-5-9-19(17)22)23-21(26)18-14-16(29(27,28)24(2)3)10-11-20(18)25-12-6-7-13-25/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 480.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 112762557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).