N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide

C18H24N2O6S2 — CID 3240751

IUPACN-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C18H24N2O6S2/c1-25-13-11-19-27(21,22)17-7-3-15(4-8-17)16-5-9-18(10-6-16)28(23,24)20-12-14-26-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyOXWJAGUCBGEUKV-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.20
Rot. Bonds11

About N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide

N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 3240751) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID3240751
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC NameN-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1
InChIInChI=1S/C18H24N2O6S2/c1-25-13-11-19-27(21,22)17-7-3-15(4-8-17)16-5-9-18(10-6-16)28(23,24)20-12-14-26-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyOXWJAGUCBGEUKV-UHFFFAOYSA-N
XLogP1.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3731938
N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
4-{2-[(Phenylsulfonyl)amino]ethyl}benzenesulfonamide
CID 2217668
Aromatic/heteroaromatic sulfonamide 35
CID 11553012
4-methyl-N-[(2S)-3-methyl-1-(4-sulfamoylphenyl)selanylbutan-2-yl]benzenesulfonamide
CID 145959957
N-(2-methoxyethyl)-2,3,4-trimethylbenzenesulfonamide
CID 1587717
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2938353
N,N'-[oxybis(ethane-2,1-diyl)]bis(4-methylbenzenesulfonamide)
CID 651995
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide
CID 1018257
(Phenylsulfonyl)(2-{2-[(phenylsulfonyl)amino]ethoxy}ethyl)amine
CID 2270178
N,N'-1,2-propanediylbis(4-methylbenzenesulfonamide)
CID 2932603
N-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
CID 2932806

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide (CID 3240751) is N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCOC)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is OXWJAGUCBGEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-25-13-11-19-27(21,22)17-7-3-15(4-8-17)16-5-9-18(10-6-16)28(23,24)20-12-14-26-2/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide?
N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 1.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).