2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine

C10H17N3O4S — CID 114815986

IUPAC2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
SMILESCOCCNS(=O)(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H17N3O4S/c1-16-6-5-12-18(14,15)13-8-3-4-9(11)10(7-8)17-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyXOTIQXSUQUQOLU-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.17
Rot. Bonds7

About 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine

2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine (PubChem CID 114815986) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
PubChem CID114815986
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
SMILESCOCCNS(=O)(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C10H17N3O4S/c1-16-6-5-12-18(14,15)13-8-3-4-9(11)10(7-8)17-2/h3-4,7,12-13H,5-6,11H2,1-2H3
InChIKeyXOTIQXSUQUQOLU-UHFFFAOYSA-N
XLogP0.17
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
CID 114814135
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815180
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methoxyethylsulfamoyl)aniline
CID 114816543
3-(3-aminoprop-1-ynyl)-4-chloro-N-(2-methoxyethylsulfamoyl)aniline
CID 114816545
ethyl 4-(2-methoxyethylsulfamoylamino)benzoate
CID 114816306
2-N-(2-methoxyethylsulfamoyl)pyridine-2,5-diamine
CID 114814034
2-methoxy-4-(propylsulfamoylamino)benzoic acid
CID 107208921

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine (CID 114815986) is 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine is COCCNS(=O)(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine?
The InChIKey is XOTIQXSUQUQOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-16-6-5-12-18(14,15)13-8-3-4-9(11)10(7-8)17-2/h3-4,7,12-13H,5-6,11H2,1-2H3.
What are the key properties of 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine?
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine is sourced from PubChem (CID 114815986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).