4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C15H13N3O3S — CID 60594905

IUPAC4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O3S/c16-8-2-9-18(12-14-3-1-10-21-14)22(19,20)15-6-4-13(11-17)5-7-15/h1,3-7,10H,2,9,12H2
InChIKeyBYXJREYJZFTFJV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.26
Rot. Bonds6

About 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide

4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 60594905) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID60594905
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N3O3S/c16-8-2-9-18(12-14-3-1-10-21-14)22(19,20)15-6-4-13(11-17)5-7-15/h1,3-7,10H,2,9,12H2
InChIKeyBYXJREYJZFTFJV-UHFFFAOYSA-N
XLogP2.26
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 60594905) is 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is BYXJREYJZFTFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-8-2-9-18(12-14-3-1-10-21-14)22(19,20)15-6-4-13(11-17)5-7-15/h1,3-7,10H,2,9,12H2.
What are the key properties of 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60594905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).