2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide

C21H18ClN3O3S — CID 135370529

IUPAC2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(/C=C/c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C21H18ClN3O3S/c22-16-7-3-13(4-8-16)1-2-14-11-18(20(23)19(12-14)21(24)26)15-5-9-17(10-6-15)29(25,27)28/h1-12H,23H2,(H2,24,26)(H2,25,27,28)/b2-1+
InChIKeyFOTYNYQYTRPALF-OWOJBTEDSA-N
MW427.91 g/mol
LogP3.51
Rot. Bonds5

About 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide

2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide (PubChem CID 135370529) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide
PubChem CID135370529
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide
SMILESNC(=O)c1cc(/C=C/c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C21H18ClN3O3S/c22-16-7-3-13(4-8-16)1-2-14-11-18(20(23)19(12-14)21(24)26)15-5-9-17(10-6-15)29(25,27)28/h1-12H,23H2,(H2,24,26)(H2,25,27,28)/b2-1+
InChIKeyFOTYNYQYTRPALF-OWOJBTEDSA-N
XLogP3.51
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (E)-3-[4-amino-3-carbamoyl-5-(4-sulfamoylphenyl)phenyl]prop-2-enoate
CID 140940936
2-amino-5-[(E)-3-(cyclohexylamino)-3-oxoprop-1-enyl]-3-(4-sulfamoylphenyl)benzamide
CID 135370206
5-(4-chlorophenyl)-2-(2-hydroxyethylamino)-3-(4-sulfamoylphenyl)benzamide
CID 135369976
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
prop-2-ynyl 3-[4-amino-3-carbamoyl-5-(4-sulfamoylphenyl)phenyl]-4-hydroxybenzoate
CID 175144276
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
4-(4-amino-2-chlorophenyl)benzenesulfonamide
CID 110453859
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide (CID 135370529) is 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide is NC(=O)c1cc(/C=C/c2ccc(Cl)cc2)cc(-c2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide?
The InChIKey is FOTYNYQYTRPALF-OWOJBTEDSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-16-7-3-13(4-8-16)1-2-14-11-18(20(23)19(12-14)21(24)26)15-5-9-17(10-6-15)29(25,27)28/h1-12H,23H2,(H2,24,26)(H2,25,27,28)/b2-1+.
What are the key properties of 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide?
2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide has a molecular weight of 427.91 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 135370529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).