4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide

C19H16N2O3S — CID 155558593

IUPAC4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H16N2O3S/c20-13-15-3-1-2-14(12-15)4-11-19(22)16-5-9-18(10-6-16)25(23,24)21-17-7-8-17/h1-6,9-12,17,21H,7-8H2/b11-4+
InChIKeyORFZFCXMPHRQOS-NYYWCZLTSA-N
MW352.42 g/mol
LogP2.90
Rot. Bonds6

About 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide

4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 155558593) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide
PubChem CID155558593
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide
SMILESN#Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H16N2O3S/c20-13-15-3-1-2-14(12-15)4-11-19(22)16-5-9-18(10-6-16)25(23,24)21-17-7-8-17/h1-6,9-12,17,21H,7-8H2/b11-4+
InChIKeyORFZFCXMPHRQOS-NYYWCZLTSA-N
XLogP2.90
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide (CID 155558593) is 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide is N#Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1.
What is the InChIKey of 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide?
The InChIKey is ORFZFCXMPHRQOS-NYYWCZLTSA-N. The full InChI is InChI=1S/C19H16N2O3S/c20-13-15-3-1-2-14(12-15)4-11-19(22)16-5-9-18(10-6-16)25(23,24)21-17-7-8-17/h1-6,9-12,17,21H,7-8H2/b11-4+.
What are the key properties of 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide?
4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(3-cyanophenyl)prop-2-enoyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 155558593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).