(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide

C15H21NO3S — CID 71796732

IUPAC(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-12-3-5-13(6-4-12)9-10-20(18,19)16-11-15(2,17)14-7-8-14/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3/b10-9+
InChIKeyZVPGCRVCWDLHCB-MDZDMXLPSA-N
MW295.40 g/mol
LogP2.05
Rot. Bonds6

About (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 71796732) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID71796732
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C15H21NO3S/c1-12-3-5-13(6-4-12)9-10-20(18,19)16-11-15(2,17)14-7-8-14/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3/b10-9+
InChIKeyZVPGCRVCWDLHCB-MDZDMXLPSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide (CID 71796732) is (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is ZVPGCRVCWDLHCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-3-5-13(6-4-12)9-10-20(18,19)16-11-15(2,17)14-7-8-14/h3-6,9-10,14,16-17H,7-8,11H2,1-2H3/b10-9+.
What are the key properties of (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 71796732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).