propan-2-yl 2-(dimethylsulfamoylamino)benzoate

C12H18N2O4S — CID 133062998

IUPACpropan-2-yl 2-(dimethylsulfamoylamino)benzoate
SMILESCC(C)OC(=O)c1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O4S/c1-9(2)18-12(15)10-7-5-6-8-11(10)13-19(16,17)14(3)4/h5-9,13H,1-4H3
InChIKeyCEPPQXNYTQKPKK-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.47
Rot. Bonds5

About propan-2-yl 2-(dimethylsulfamoylamino)benzoate

propan-2-yl 2-(dimethylsulfamoylamino)benzoate (PubChem CID 133062998) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is propan-2-yl 2-(dimethylsulfamoylamino)benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-(dimethylsulfamoylamino)benzoate
PubChem CID133062998
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namepropan-2-yl 2-(dimethylsulfamoylamino)benzoate
SMILESCC(C)OC(=O)c1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C12H18N2O4S/c1-9(2)18-12(15)10-7-5-6-8-11(10)13-19(16,17)14(3)4/h5-9,13H,1-4H3
InChIKeyCEPPQXNYTQKPKK-UHFFFAOYSA-N
XLogP1.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(dimethylsulfamoylamino)benzoate 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

1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
methyl 2-[4-(dimethylsulfamoylamino)anilino]benzoate
CID 112988468
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740648
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
1-(dimethylsulfamoylamino)-2-[1-(methylamino)ethyl]benzene
CID 43508162
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 41432182
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740719

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(dimethylsulfamoylamino)benzoate?
The IUPAC name of propan-2-yl 2-(dimethylsulfamoylamino)benzoate (CID 133062998) is propan-2-yl 2-(dimethylsulfamoylamino)benzoate.
What is the SMILES notation for propan-2-yl 2-(dimethylsulfamoylamino)benzoate?
The canonical SMILES for propan-2-yl 2-(dimethylsulfamoylamino)benzoate is CC(C)OC(=O)c1ccccc1NS(=O)(=O)N(C)C.
What is the InChIKey of propan-2-yl 2-(dimethylsulfamoylamino)benzoate?
The InChIKey is CEPPQXNYTQKPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(2)18-12(15)10-7-5-6-8-11(10)13-19(16,17)14(3)4/h5-9,13H,1-4H3.
What are the key properties of propan-2-yl 2-(dimethylsulfamoylamino)benzoate?
propan-2-yl 2-(dimethylsulfamoylamino)benzoate has a molecular weight of 286.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(dimethylsulfamoylamino)benzoate is sourced from PubChem (CID 133062998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).