3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

C20H21FN2O5S — CID 55792456

IUPAC3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1F
InChIInChI=1S/C20H21FN2O5S/c1-23(2)29(25,26)18-11-13(5-7-15(18)21)19(24)22-14-6-8-16-17(12-14)28-20(27-16)9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyQDNMMNPRRRAQRQ-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.37
Rot. Bonds4

About 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (PubChem CID 55792456) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
PubChem CID55792456
Molecular FormulaC20H21FN2O5S
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1F
InChIInChI=1S/C20H21FN2O5S/c1-23(2)29(25,26)18-11-13(5-7-15(18)21)19(24)22-14-6-8-16-17(12-14)28-20(27-16)9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)
InChIKeyQDNMMNPRRRAQRQ-UHFFFAOYSA-N
XLogP3.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46664848
4-(dimethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173914
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792690
3-fluoro-4-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26707616
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
4-[(4-fluorophenyl)sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280599
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
4-(methoxymethyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280468
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26012135
4-amino-3-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280389

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (CID 55792456) is 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1F.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is QDNMMNPRRRAQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c1-23(2)29(25,26)18-11-13(5-7-15(18)21)19(24)22-14-6-8-16-17(12-14)28-20(27-16)9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 420.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 55792456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).