N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

C15H16N2O4S — CID 60510088

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C15H16N2O4S/c1-20-13-5-7-15(8-6-13)22(18,19)17(10-3-9-16)12-14-4-2-11-21-14/h2,4-8,11H,3,10,12H2,1H3
InChIKeyRVEAACFRGASVDN-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.39
Rot. Bonds7

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (PubChem CID 60510088) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
PubChem CID60510088
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1
InChIInChI=1S/C15H16N2O4S/c1-20-13-5-7-15(8-6-13)22(18,19)17(10-3-9-16)12-14-4-2-11-21-14/h2,4-8,11H,3,10,12H2,1H3
InChIKeyRVEAACFRGASVDN-UHFFFAOYSA-N
XLogP2.39
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide (CID 60510088) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCC#N)Cc2ccco2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
The InChIKey is RVEAACFRGASVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-13-5-7-15(8-6-13)22(18,19)17(10-3-9-16)12-14-4-2-11-21-14/h2,4-8,11H,3,10,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 60510088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).