N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C19H21F2N3O3S — CID 24982823

IUPACN-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2N3O3S/c1-23(2)28(26,27)14-6-8-18(24-9-3-4-10-24)15(12-14)19(25)22-17-7-5-13(20)11-16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyHTJWIGNKFTYEFI-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.07
Rot. Bonds5

About N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 24982823) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID24982823
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H21F2N3O3S/c1-23(2)28(26,27)14-6-8-18(24-9-3-4-10-24)15(12-14)19(25)22-17-7-5-13(20)11-16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25)
InChIKeyHTJWIGNKFTYEFI-UHFFFAOYSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
N-(2,5-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24979674
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 31737983
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
CID 55857004
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 25162057
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 24982823) is N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is HTJWIGNKFTYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-23(2)28(26,27)14-6-8-18(24-9-3-4-10-24)15(12-14)19(25)22-17-7-5-13(20)11-16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 409.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 24982823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).