[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate

C21H17NO4S — CID 174548855

IUPAC[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate
SMILESC=Cc1ccc(OC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO4S/c1-2-16-13-14-18(26-21(23)17-9-5-3-6-10-17)15-20(16)22-27(24,25)19-11-7-4-8-12-19/h2-15,22H,1H2
InChIKeyCRXHSQASJBFSJN-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.35
Rot. Bonds6

About [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate

[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate (PubChem CID 174548855) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate.

Molecular Properties

Compound Name[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate
PubChem CID174548855
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate
SMILESC=Cc1ccc(OC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17NO4S/c1-2-16-13-14-18(26-21(23)17-9-5-3-6-10-17)15-20(16)22-27(24,25)19-11-7-4-8-12-19/h2-15,22H,1H2
InChIKeyCRXHSQASJBFSJN-UHFFFAOYSA-N
XLogP4.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-ethenyl-3-(4-methylanilino)phenyl] benzoate
CID 175255407
[4-ethenyl-3-[(2-fluorobenzoyl)amino]phenyl] benzoate
CID 175374320
(3,4-dibenzamidophenyl) benzoate
CID 2749917
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] benzoate
CID 6164119
(3-ethenylphenyl) benzoate
CID 18762156
3-benzoyloxybenzenesulfonic acid
CID 14014369
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6047938
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
3-[2-(benzenesulfonamido)phenyl]prop-2-enoic acid
CID 70280220
methyl (E)-3-[2-(benzenesulfonamido)-4-chlorophenyl]prop-2-enoate
CID 11371593
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate?
The IUPAC name of [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate (CID 174548855) is [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate.
What is the SMILES notation for [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate?
The canonical SMILES for [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate is C=Cc1ccc(OC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate?
The InChIKey is CRXHSQASJBFSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-2-16-13-14-18(26-21(23)17-9-5-3-6-10-17)15-20(16)22-27(24,25)19-11-7-4-8-12-19/h2-15,22H,1H2.
What are the key properties of [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate?
[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate has a molecular weight of 379.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonamido)-4-ethenylphenyl] benzoate is sourced from PubChem (CID 174548855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).