3-[(ethylsulfonylamino)methyl]benzenesulfonamide

C9H14N2O4S2 — CID 47337146

IUPAC3-[(ethylsulfonylamino)methyl]benzenesulfonamide
SMILESCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O4S2/c1-2-16(12,13)11-7-8-4-3-5-9(6-8)17(10,14)15/h3-6,11H,2,7H2,1H3,(H2,10,14,15)
InChIKeyQRQFTVHJGWPLRM-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.23
Rot. Bonds5

About 3-[(ethylsulfonylamino)methyl]benzenesulfonamide

3-[(ethylsulfonylamino)methyl]benzenesulfonamide (PubChem CID 47337146) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(ethylsulfonylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(ethylsulfonylamino)methyl]benzenesulfonamide
PubChem CID47337146
Molecular FormulaC9H14N2O4S2
Molecular Weight278.36 g/mol
Exact Mass278.04
IUPAC Name3-[(ethylsulfonylamino)methyl]benzenesulfonamide
SMILESCCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O4S2/c1-2-16(12,13)11-7-8-4-3-5-9(6-8)17(10,14)15/h3-6,11H,2,7H2,1H3,(H2,10,14,15)
InChIKeyQRQFTVHJGWPLRM-UHFFFAOYSA-N
XLogP-0.23
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
CID 55014687
3-[(3-sulfamoylphenyl)methylsulfamoyl]propanoic acid
CID 60859947
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949
3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
CID 55906600
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]benzenesulfonamide
CID 66415356
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020

Frequently Asked Questions

What is the IUPAC name of 3-[(ethylsulfonylamino)methyl]benzenesulfonamide?
The IUPAC name of 3-[(ethylsulfonylamino)methyl]benzenesulfonamide (CID 47337146) is 3-[(ethylsulfonylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(ethylsulfonylamino)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(ethylsulfonylamino)methyl]benzenesulfonamide is CCS(=O)(=O)NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(ethylsulfonylamino)methyl]benzenesulfonamide?
The InChIKey is QRQFTVHJGWPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-2-16(12,13)11-7-8-4-3-5-9(6-8)17(10,14)15/h3-6,11H,2,7H2,1H3,(H2,10,14,15).
What are the key properties of 3-[(ethylsulfonylamino)methyl]benzenesulfonamide?
3-[(ethylsulfonylamino)methyl]benzenesulfonamide has a molecular weight of 278.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethylsulfonylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 47337146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).