3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide

C10H16N2O5S2 — CID 55014687

IUPAC3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
SMILESCOCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O5S2/c1-17-5-6-18(13,14)12-8-9-3-2-4-10(7-9)19(11,15)16/h2-4,7,12H,5-6,8H2,1H3,(H2,11,15,16)
InChIKeyMGHDMBMDUOQOEU-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.60
Rot. Bonds7

About 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide

3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide (PubChem CID 55014687) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
PubChem CID55014687
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
SMILESCOCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H16N2O5S2/c1-17-5-6-18(13,14)12-8-9-3-2-4-10(7-9)19(11,15)16/h2-4,7,12H,5-6,8H2,1H3,(H2,11,15,16)
InChIKeyMGHDMBMDUOQOEU-UHFFFAOYSA-N
XLogP-0.60
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[(3-sulfamoylphenyl)methylsulfamoyl]propanoic acid
CID 60859947
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
1-(2-methoxyethyl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 110939967
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
CID 55906600
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide?
The IUPAC name of 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide (CID 55014687) is 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide is COCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide?
The InChIKey is MGHDMBMDUOQOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-17-5-6-18(13,14)12-8-9-3-2-4-10(7-9)19(11,15)16/h2-4,7,12H,5-6,8H2,1H3,(H2,11,15,16).
What are the key properties of 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide?
3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 55014687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).