5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C17H19N3O5S2 — CID 8840824

IUPAC5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19N3O5S2/c1-4-25-16-10-7-14(11-17(16)27(23,24)20(2)3)19-26(21,22)15-8-5-13(12-18)6-9-15/h5-11,19H,4H2,1-3H3
InChIKeyRMWAZJINPMDVDZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.01
Rot. Bonds7

About 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 8840824) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID8840824
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC Name5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H19N3O5S2/c1-4-25-16-10-7-14(11-17(16)27(23,24)20(2)3)19-26(21,22)15-8-5-13(12-18)6-9-15/h5-11,19H,4H2,1-3H3
InChIKeyRMWAZJINPMDVDZ-UHFFFAOYSA-N
XLogP2.01
TPSA116.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
CID 55626665
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
5-[(4-ethoxyphenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 35748604

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 8840824) is 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is RMWAZJINPMDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-4-25-16-10-7-14(11-17(16)27(23,24)20(2)3)19-26(21,22)15-8-5-13(12-18)6-9-15/h5-11,19H,4H2,1-3H3.
What are the key properties of 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 409.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 8840824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).