3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide

C17H19N3O4S2 — CID 4967372

IUPAC3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-3-20(4-2)26(23,24)16-10-8-15(9-11-16)19-25(21,22)17-7-5-6-14(12-17)13-18/h5-12,19H,3-4H2,1-2H3
InChIKeyPNBXHSYFYMATJM-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.39
Rot. Bonds7

About 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide

3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 4967372) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID4967372
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-3-20(4-2)26(23,24)16-10-8-15(9-11-16)19-25(21,22)17-7-5-6-14(12-17)13-18/h5-12,19H,3-4H2,1-2H3
InChIKeyPNBXHSYFYMATJM-UHFFFAOYSA-N
XLogP2.39
TPSA107.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
N-butyl-3-cyano-N-ethylbenzenesulfonamide
CID 24700685
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 71904739
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide (CID 4967372) is 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is PNBXHSYFYMATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-3-20(4-2)26(23,24)16-10-8-15(9-11-16)19-25(21,22)17-7-5-6-14(12-17)13-18/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide?
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4967372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).