2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid

C19H23N3O4S — CID 110120233

IUPAC2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cccnc2-c2ccccc2C(=O)O)C1
InChIInChI=1S/C19H23N3O4S/c1-21(2)27(25,26)22-11-9-14(13-22)12-15-6-5-10-20-18(15)16-7-3-4-8-17(16)19(23)24/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,24)
InChIKeyWLYHZSVOXRUVIN-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.12
Rot. Bonds6

About 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid

2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid (PubChem CID 110120233) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
PubChem CID110120233
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
SMILESCN(C)S(=O)(=O)N1CCC(Cc2cccnc2-c2ccccc2C(=O)O)C1
InChIInChI=1S/C19H23N3O4S/c1-21(2)27(25,26)22-11-9-14(13-22)12-15-6-5-10-20-18(15)16-7-3-4-8-17(16)19(23)24/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,24)
InChIKeyWLYHZSVOXRUVIN-UHFFFAOYSA-N
XLogP2.12
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid 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-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124946428
4-[3-[[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 125019948
4-[3-[[(3S)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125009289
4-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120379
2-[6-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 125014808
(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125010419
3-[3-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120284
(3R)-N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 124970696
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 169410782
2-[3-[[1-(2-methoxyacetyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 110120228
2-[[1-[3-(dimethylsulfamoyl)propyl]pyrrolidin-3-yl]methyl]benzoic acid;formic acid
CID 171709946
1-[(3S)-3-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125025088

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The IUPAC name of 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid (CID 110120233) is 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid is CN(C)S(=O)(=O)N1CCC(Cc2cccnc2-c2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The InChIKey is WLYHZSVOXRUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21(2)27(25,26)22-11-9-14(13-22)12-15-6-5-10-20-18(15)16-7-3-4-8-17(16)19(23)24/h3-8,10,14H,9,11-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid has a molecular weight of 389.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 110120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).