4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide

C17H21N3O3S — CID 60602634

IUPAC4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-3-20(4-2)16(17-6-5-11-23-17)13-19-24(21,22)15-9-7-14(12-18)8-10-15/h5-11,16,19H,3-4,13H2,1-2H3
InChIKeyBSFZWPHDIRFVDB-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.51
Rot. Bonds8

About 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide

4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 60602634) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID60602634
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C17H21N3O3S/c1-3-20(4-2)16(17-6-5-11-23-17)13-19-24(21,22)15-9-7-14(12-18)8-10-15/h5-11,16,19H,3-4,13H2,1-2H3
InChIKeyBSFZWPHDIRFVDB-UHFFFAOYSA-N
XLogP2.51
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[2-(furan-2-yl)-2-methoxyethyl]-4-propylbenzenesulfonamide
CID 121145620
4-cyano-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429866
4-cyano-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzenesulfonamide
CID 163347265
N-butyl-4-cyanobenzenesulfonamide
CID 3555489

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide (CID 60602634) is 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide is CCN(CC)C(CNS(=O)(=O)c1ccc(C#N)cc1)c1ccco1.
What is the InChIKey of 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is BSFZWPHDIRFVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-20(4-2)16(17-6-5-11-23-17)13-19-24(21,22)15-9-7-14(12-18)8-10-15/h5-11,16,19H,3-4,13H2,1-2H3.
What are the key properties of 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide?
4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60602634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).