4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

C19H26N2O6S2 — CID 55639511

IUPAC4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H26N2O6S2/c1-14-13-18(9-10-19(14)27-12-11-26-4)29(24,25)21(3)15(2)16-5-7-17(8-6-16)28(20,22)23/h5-10,13,15H,11-12H2,1-4H3,(H2,20,22,23)
InChIKeyKKIVXTGTLBZNTN-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.05
Rot. Bonds9

About 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide

4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (PubChem CID 55639511) has the molecular formula C19H26N2O6S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
PubChem CID55639511
Molecular FormulaC19H26N2O6S2
Molecular Weight442.56 g/mol
Exact Mass442.12
IUPAC Name4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C19H26N2O6S2/c1-14-13-18(9-10-19(14)27-12-11-26-4)29(24,25)21(3)15(2)16-5-7-17(8-6-16)28(20,22)23/h5-10,13,15H,11-12H2,1-4H3,(H2,20,22,23)
InChIKeyKKIVXTGTLBZNTN-UHFFFAOYSA-N
XLogP2.05
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 8801941
4-N,4-N-diethyl-1-N-methyl-1-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide
CID 30963940
3-methyl-4-(4-methylpentoxy)benzenesulfonamide
CID 83158353
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
N,2,3-trimethyl-5-nitro-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 46633654
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-1-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55743219
2,5-dichloro-N,3,6-trimethyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 30964005
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511204
N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
CID 46417508
4-[(1R)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]ethyl]benzenesulfonamide
CID 35887109

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide (CID 55639511) is 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is COCCOc1ccc(S(=O)(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KKIVXTGTLBZNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S2/c1-14-13-18(9-10-19(14)27-12-11-26-4)29(24,25)21(3)15(2)16-5-7-17(8-6-16)28(20,22)23/h5-10,13,15H,11-12H2,1-4H3,(H2,20,22,23).
What are the key properties of 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide?
4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide has a molecular weight of 442.56 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N,3-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55639511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).