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

C13H16N2O3S — CID 60723752

IUPAC4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C13H16N2O3S/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h3-6,12,15H,1-2,7-9H2
InChIKeySMZPIQWFSAUCNT-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds5

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

4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 60723752) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID60723752
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C13H16N2O3S/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h3-6,12,15H,1-2,7-9H2
InChIKeySMZPIQWFSAUCNT-UHFFFAOYSA-N
XLogP1.41
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
(4-cyanophenyl)methyl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 46509010
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
3-amino-4-nitro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 82846881
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915
2-(4-cyanophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 51076291

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 60723752) is 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCC2CCCO2)cc1.
What is the InChIKey of 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SMZPIQWFSAUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h3-6,12,15H,1-2,7-9H2.
What are the key properties of 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).