N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide

C15H20N2O4S2 — CID 86807259

IUPACN-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O4S2/c1-4-22(18,19)13-7-9-14(10-8-13)23(20,21)17(3)15(2,11-16)12-5-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyVMVMJZMQLRBHIC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.79
Rot. Bonds6

About N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide

N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide (PubChem CID 86807259) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
PubChem CID86807259
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O4S2/c1-4-22(18,19)13-7-9-14(10-8-13)23(20,21)17(3)15(2,11-16)12-5-6-12/h7-10,12H,4-6H2,1-3H3
InChIKeyVMVMJZMQLRBHIC-UHFFFAOYSA-N
XLogP1.79
TPSA95.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide (CID 86807259) is N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide is CCS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C#N)C2CC2)cc1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
The InChIKey is VMVMJZMQLRBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-4-22(18,19)13-7-9-14(10-8-13)23(20,21)17(3)15(2,11-16)12-5-6-12/h7-10,12H,4-6H2,1-3H3.
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide?
N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide has a molecular weight of 356.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 86807259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).