4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide

C10H17N3O6S2 — CID 114816629

IUPAC4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
SMILESCOCCNS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C10H17N3O6S2/c1-18-6-5-12-21(16,17)13-9-7-8(20(11,14)15)3-4-10(9)19-2/h3-4,7,12-13H,5-6H2,1-2H3,(H2,11,14,15)
InChIKeyMAEPFZFPWKIHAG-UHFFFAOYSA-N
MW339.40 g/mol
LogP-0.76
Rot. Bonds8

About 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide

4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide (PubChem CID 114816629) has the molecular formula C10H17N3O6S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
PubChem CID114816629
Molecular FormulaC10H17N3O6S2
Molecular Weight339.40 g/mol
Exact Mass339.06
IUPAC Name4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
SMILESCOCCNS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1OC
InChIInChI=1S/C10H17N3O6S2/c1-18-6-5-12-21(16,17)13-9-7-8(20(11,14)15)3-4-10(9)19-2/h3-4,7,12-13H,5-6H2,1-2H3,(H2,11,14,15)
InChIKeyMAEPFZFPWKIHAG-UHFFFAOYSA-N
XLogP-0.76
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
CID 114812448
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816625
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
CID 114814135
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
CID 118692692
CID 118692692
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide (CID 114816629) is 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide is COCCNS(=O)(=O)Nc1cc(S(N)(=O)=O)ccc1OC.
What is the InChIKey of 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide?
The InChIKey is MAEPFZFPWKIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O6S2/c1-18-6-5-12-21(16,17)13-9-7-8(20(11,14)15)3-4-10(9)19-2/h3-4,7,12-13H,5-6H2,1-2H3,(H2,11,14,15).
What are the key properties of 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide?
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide has a molecular weight of 339.40 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 114816629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).