4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide

C14H16N2O2S — CID 106833564

IUPAC4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-3-8-16(13-5-6-13)19(17,18)14-7-4-12(10-15)11(2)9-14/h3-4,7,9,13H,1,5-6,8H2,2H3
InChIKeyUNILVHYQTOCRMO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.21
Rot. Bonds5

About 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide

4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 106833564) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID106833564
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-3-8-16(13-5-6-13)19(17,18)14-7-4-12(10-15)11(2)9-14/h3-4,7,9,13H,1,5-6,8H2,2H3
InChIKeyUNILVHYQTOCRMO-UHFFFAOYSA-N
XLogP2.21
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
4-cyano-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbenzenesulfonamide
CID 106832945
4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
CID 146134236
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
4-cyano-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106833094
3-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzenesulfonamide
CID 129368139
N-cyclopropyl-4-(3-hydroxyprop-1-ynyl)-3-methyl-N-propylbenzenesulfonamide
CID 60844950
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
N-cyclohexyl-2,3,5,6-tetramethyl-N-prop-2-enylbenzenesulfonamide
CID 3670404
4-cyano-N,3-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106833221
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide (CID 106833564) is 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C1CC1)S(=O)(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is UNILVHYQTOCRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-8-16(13-5-6-13)19(17,18)14-7-4-12(10-15)11(2)9-14/h3-4,7,9,13H,1,5-6,8H2,2H3.
What are the key properties of 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide?
4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-cyclopropyl-3-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 106833564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).