N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide

C20H25FN4O4S — CID 133239129

IUPACN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)NC2CC(c3cccc(F)c3)NN2)ccc1OC
InChIInChI=1S/C20H25FN4O4S/c1-3-9-22-30(27,28)18-11-14(7-8-17(18)29-2)20(26)23-19-12-16(24-25-19)13-5-4-6-15(21)10-13/h4-8,10-11,16,19,22,24-25H,3,9,12H2,1-2H3,(H,23,26)
InChIKeyHNESGKFKDHPIJV-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.82
Rot. Bonds8

About N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide (PubChem CID 133239129) has the molecular formula C20H25FN4O4S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide
PubChem CID133239129
Molecular FormulaC20H25FN4O4S
Molecular Weight436.51 g/mol
Exact Mass436.16
IUPAC NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)NC2CC(c3cccc(F)c3)NN2)ccc1OC
InChIInChI=1S/C20H25FN4O4S/c1-3-9-22-30(27,28)18-11-14(7-8-17(18)29-2)20(26)23-19-12-16(24-25-19)13-5-4-6-15(21)10-13/h4-8,10-11,16,19,22,24-25H,3,9,12H2,1-2H3,(H,23,26)
InChIKeyHNESGKFKDHPIJV-UHFFFAOYSA-N
XLogP1.82
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-3,4-dimethoxybenzamide
CID 133239194
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
4-methoxy-3-(propylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43873999
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
N-(3-chlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892378
4-methoxy-3-(propylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18892400
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 43874000
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-(propylsulfamoyl)benzamide
CID 28557870
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide (CID 133239129) is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cc(C(=O)NC2CC(c3cccc(F)c3)NN2)ccc1OC.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide?
The InChIKey is HNESGKFKDHPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4S/c1-3-9-22-30(27,28)18-11-14(7-8-17(18)29-2)20(26)23-19-12-16(24-25-19)13-5-4-6-15(21)10-13/h4-8,10-11,16,19,22,24-25H,3,9,12H2,1-2H3,(H,23,26).
What are the key properties of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide?
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide has a molecular weight of 436.51 g/mol, XLogP of 1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methoxy-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 133239129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).