5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide

C23H31FN4O3S — CID 55908803

IUPAC5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C23H31FN4O3S/c1-26(2)32(30,31)18-11-12-21(28-15-6-7-16-28)19(17-18)23(29)25-13-8-14-27(3)22-10-5-4-9-20(22)24/h4-5,9-12,17H,6-8,13-16H2,1-3H3,(H,25,29)
InChIKeyGAFIIPOIVNUIME-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.93
Rot. Bonds9

About 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide

5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 55908803) has the molecular formula C23H31FN4O3S and a molecular weight of 462.59 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID55908803
Molecular FormulaC23H31FN4O3S
Molecular Weight462.59 g/mol
Exact Mass462.21
IUPAC Name5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide
SMILESCN(CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1F
InChIInChI=1S/C23H31FN4O3S/c1-26(2)32(30,31)18-11-12-21(28-15-6-7-16-28)19(17-18)23(29)25-13-8-14-27(3)22-10-5-4-9-20(22)24/h4-5,9-12,17H,6-8,13-16H2,1-3H3,(H,25,29)
InChIKeyGAFIIPOIVNUIME-UHFFFAOYSA-N
XLogP2.93
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(dimethylsulfamoyl)-N-[2-(methylamino)propyl]-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 120833091
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 25162057
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 16558784
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514587
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-N-(6-methylheptan-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 55344476
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide (CID 55908803) is 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide is CN(CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccccc1F.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GAFIIPOIVNUIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O3S/c1-26(2)32(30,31)18-11-12-21(28-15-6-7-16-28)19(17-18)23(29)25-13-8-14-27(3)22-10-5-4-9-20(22)24/h4-5,9-12,17H,6-8,13-16H2,1-3H3,(H,25,29).
What are the key properties of 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide?
5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 462.59 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55908803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).