4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide

C15H13N3O2S — CID 25110543

IUPAC4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide
SMILESN#C/C=C/c1ccccc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13N3O2S/c16-11-3-5-12-4-1-2-6-15(12)18-13-7-9-14(10-8-13)21(17,19)20/h1-10,18H,(H2,17,19,20)/b5-3+
InChIKeyGESMYMURWHCPQS-HWKANZROSA-N
MW299.36 g/mol
LogP2.61
Rot. Bonds4

About 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide

4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide (PubChem CID 25110543) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide
PubChem CID25110543
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide
SMILESN#C/C=C/c1ccccc1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13N3O2S/c16-11-3-5-12-4-1-2-6-15(12)18-13-7-9-14(10-8-13)21(17,19)20/h1-10,18H,(H2,17,19,20)/b5-3+
InChIKeyGESMYMURWHCPQS-HWKANZROSA-N
XLogP2.61
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-anilinophenyl)prop-2-enenitrile
CID 169484284
4-[2-(2-hydroxyethyl)anilino]benzenesulfonamide
CID 175398459
N-[2-(2-cyanoethenyl)phenyl]-2-hydroxyiminoacetamide
CID 169484213
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
4-[2-[2-(4-methylanilino)phenyl]acetyl]benzenesulfonamide
CID 58317769
2-(2-cyanoethenyl)benzamide
CID 131884772
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
4-(2-naphthalen-1-ylhydrazinyl)benzenesulfonamide
CID 70469437
3-amino-4-(2-bromoanilino)benzenesulfonamide
CID 43330972
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide?
The IUPAC name of 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide (CID 25110543) is 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide?
The canonical SMILES for 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide is N#C/C=C/c1ccccc1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide?
The InChIKey is GESMYMURWHCPQS-HWKANZROSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-11-3-5-12-4-1-2-6-15(12)18-13-7-9-14(10-8-13)21(17,19)20/h1-10,18H,(H2,17,19,20)/b5-3+.
What are the key properties of 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide?
4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-cyanoethenyl]anilino]benzenesulfonamide is sourced from PubChem (CID 25110543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).