2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide

C21H25N3O5S2 — CID 155780988

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C21H25N3O5S2/c1-30(26,27)16-4-2-3-15(13-16)23-20(25)18-6-5-17(31(22,28)29)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyAGISKCCNZDEICI-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.37
Rot. Bonds5

About 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide (PubChem CID 155780988) has the molecular formula C21H25N3O5S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide
PubChem CID155780988
Molecular FormulaC21H25N3O5S2
Molecular Weight463.58 g/mol
Exact Mass463.12
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C21H25N3O5S2/c1-30(26,27)16-4-2-3-15(13-16)23-20(25)18-6-5-17(31(22,28)29)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25)(H2,22,28,29)
InChIKeyAGISKCCNZDEICI-UHFFFAOYSA-N
XLogP2.37
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-4-methylsulfonylbenzamide
CID 167548149
2-(6-azaspiro[2.5]octan-6-yl)-4-methylsulfonyl-N-(3-propan-2-ylphenyl)benzamide
CID 155780973
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 155780813
CID 155780788
CID 155780788
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide;1-methylcyclopropane-1-sulfonamide
CID 167605312
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-(1-methylimidazol-2-yl)benzamide
CID 155780864
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-[[(2R)-2-hydroxypropyl]amino]-6-methylpyrimidin-4-yl]-4-methylsulfonylbenzamide
CID 149389645
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
(1R)-6-(4,4-difluoroazepan-1-yl)-N-(3-sulfamoylphenyl)-1-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 167111753
6-(4,4-difluoroazepan-1-yl)-1-methyl-N-(3-sulfamoylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 169263975

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide (CID 155780988) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide?
The InChIKey is AGISKCCNZDEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S2/c1-30(26,27)16-4-2-3-15(13-16)23-20(25)18-6-5-17(31(22,28)29)14-19(18)24-11-9-21(7-8-21)10-12-24/h2-6,13-14H,7-12H2,1H3,(H,23,25)(H2,22,28,29).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide has a molecular weight of 463.58 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-(3-methylsulfonylphenyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 155780988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).