5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C19H27N3O5S2 — CID 55566308

IUPAC5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H27N3O5S2/c1-6-27-18-11-10-16(13-19(18)29(25,26)22(4)5)20-14-15-8-7-9-17(12-15)28(23,24)21(2)3/h7-13,20H,6,14H2,1-5H3
InChIKeyOPUNZRKUQNYBBQ-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.20
Rot. Bonds9

About 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 55566308) has the molecular formula C19H27N3O5S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID55566308
Molecular FormulaC19H27N3O5S2
Molecular Weight441.58 g/mol
Exact Mass441.14
IUPAC Name5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H27N3O5S2/c1-6-27-18-11-10-16(13-19(18)29(25,26)22(4)5)20-14-15-8-7-9-17(12-15)28(23,24)21(2)3/h7-13,20H,6,14H2,1-5H3
InChIKeyOPUNZRKUQNYBBQ-UHFFFAOYSA-N
XLogP2.20
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 9470167
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetamide
CID 55565700
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
4-[(3-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43682539

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 55566308) is 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(NCc2cccc(S(=O)(=O)N(C)C)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is OPUNZRKUQNYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5S2/c1-6-27-18-11-10-16(13-19(18)29(25,26)22(4)5)20-14-15-8-7-9-17(12-15)28(23,24)21(2)3/h7-13,20H,6,14H2,1-5H3.
What are the key properties of 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 441.58 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 55566308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).