4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide

C11H19N3O5S2 — CID 114816625

IUPAC4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O5S2/c1-19-9-8-14-21(17,18)13-7-6-10-2-4-11(5-3-10)20(12,15)16/h2-5,13-14H,6-9H2,1H3,(H2,12,15,16)
InChIKeyWSWONUZOILVLIZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP-1.05
Rot. Bonds9

About 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide

4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide (PubChem CID 114816625) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
PubChem CID114816625
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC Name4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O5S2/c1-19-9-8-14-21(17,18)13-7-6-10-2-4-11(5-3-10)20(12,15)16/h2-5,13-14H,6-9H2,1H3,(H2,12,15,16)
InChIKeyWSWONUZOILVLIZ-UHFFFAOYSA-N
XLogP-1.05
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2-methoxyethyl)-1-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108972706
1-(2-methoxyethoxymethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108894482
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
4-[3-(propan-2-ylsulfonylamino)propyl]benzenesulfonamide
CID 60906181
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
N-(2-methoxyethyl)-2-[2-(4-sulfamoylphenyl)ethylamino]pyridine-4-carboxamide
CID 109166763
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide (CID 114816625) is 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide is COCCNS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide?
The InChIKey is WSWONUZOILVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-19-9-8-14-21(17,18)13-7-6-10-2-4-11(5-3-10)20(12,15)16/h2-5,13-14H,6-9H2,1H3,(H2,12,15,16).
What are the key properties of 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide?
4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of -1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 114816625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).