4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide

C19H19N3O3S — CID 67197141

IUPAC4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H19N3O3S/c1-21(2)12-11-19(23)16-5-4-6-17(13-16)22(3)26(24,25)18-9-7-15(14-20)8-10-18/h4-13H,1-3H3/b12-11+
InChIKeyIIFZXDQFPQFZIP-VAWYXSNFSA-N
MW369.45 g/mol
LogP2.64
Rot. Bonds6

About 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide

4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 67197141) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID67197141
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H19N3O3S/c1-21(2)12-11-19(23)16-5-4-6-17(13-16)22(3)26(24,25)18-9-7-15(14-20)8-10-18/h4-13H,1-3H3/b12-11+
InChIKeyIIFZXDQFPQFZIP-VAWYXSNFSA-N
XLogP2.64
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
CID 67198187
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
CID 67198905
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
CID 67198995
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
CID 67195903
N-butyl-N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-4-methoxybenzenesulfonamide
CID 69152574
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
N-(4-cyanophenyl)-3-[methyl-(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 90342533
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-(trideuteriomethyl)acetamide
CID 91422730
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide (CID 67197141) is 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide is CN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is IIFZXDQFPQFZIP-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-21(2)12-11-19(23)16-5-4-6-17(13-16)22(3)26(24,25)18-9-7-15(14-20)8-10-18/h4-13H,1-3H3/b12-11+.
What are the key properties of 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide?
4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 67197141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).