N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide

C15H20N2O2S — CID 3456731

IUPACN-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-12(2)13-4-8-15(9-5-13)20(18,19)17(11-3-10-16)14-6-7-14/h4-5,8-9,12,14H,3,6-7,11H2,1-2H3
InChIKeyHBJQTKYRVNVPNX-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.88
Rot. Bonds6

About N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide

N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 3456731) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
PubChem CID3456731
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O2S/c1-12(2)13-4-8-15(9-5-13)20(18,19)17(11-3-10-16)14-6-7-14/h4-5,8-9,12,14H,3,6-7,11H2,1-2H3
InChIKeyHBJQTKYRVNVPNX-UHFFFAOYSA-N
XLogP2.88
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide (CID 3456731) is N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(CCC#N)C2CC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is HBJQTKYRVNVPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(2)13-4-8-15(9-5-13)20(18,19)17(11-3-10-16)14-6-7-14/h4-5,8-9,12,14H,3,6-7,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide?
N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3456731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).