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

C14H13ClN2O3S — CID 2822938

IUPAC4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3S/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2
InChIKeyAUZOTZASBMBGKG-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.04
Rot. Bonds6

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

4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2822938) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2822938
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3S/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2
InChIKeyAUZOTZASBMBGKG-UHFFFAOYSA-N
XLogP3.04
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2822938) is 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is AUZOTZASBMBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-12-4-6-14(7-5-12)21(18,19)17(9-2-8-16)11-13-3-1-10-20-13/h1,3-7,10H,2,9,11H2.
What are the key properties of 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2822938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).