2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

C12H18N2O5S2 — CID 63247225

IUPAC2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)CC2CCCO2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-9-11(5-2-6-12(9)21(13,17)18)14-20(15,16)8-10-4-3-7-19-10/h2,5-6,10,14H,3-4,7-8H2,1H3,(H2,13,17,18)
InChIKeyFOXSJWROBGYROY-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.56
Rot. Bonds5

About 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide

2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (PubChem CID 63247225) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
PubChem CID63247225
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
SMILESCc1c(NS(=O)(=O)CC2CCCO2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-9-11(5-2-6-12(9)21(13,17)18)14-20(15,16)8-10-4-3-7-19-10/h2,5-6,10,14H,3-4,7-8H2,1H3,(H2,13,17,18)
InChIKeyFOXSJWROBGYROY-UHFFFAOYSA-N
XLogP0.56
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide 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-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide (CID 63247225) is 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is Cc1c(NS(=O)(=O)CC2CCCO2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
The InChIKey is FOXSJWROBGYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-11(5-2-6-12(9)21(13,17)18)14-20(15,16)8-10-4-3-7-19-10/h2,5-6,10,14H,3-4,7-8H2,1H3,(H2,13,17,18).
What are the key properties of 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide?
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63247225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).