(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

C15H13ClN2O5S — CID 68943332

IUPAC(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1ccc(O)c(O)c1)S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O5S/c16-10-2-4-11(5-3-10)18-24(22,23)14(15(17)21)8-9-1-6-12(19)13(20)7-9/h1-8,18-20H,(H2,17,21)/b14-8-
InChIKeyTWQQKVACWIIZPN-ZSOIEALJSA-N
MW368.80 g/mol
LogP2.02
Rot. Bonds5

About (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide

(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide (PubChem CID 68943332) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
PubChem CID68943332
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C(=C/c1ccc(O)c(O)c1)S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O5S/c16-10-2-4-11(5-3-10)18-24(22,23)14(15(17)21)8-9-1-6-12(19)13(20)7-9/h1-8,18-20H,(H2,17,21)/b14-8-
InChIKeyTWQQKVACWIIZPN-ZSOIEALJSA-N
XLogP2.02
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide 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

(E)-3-(3,4-dihydroxyphenyl)-2-[(4-methoxyphenyl)sulfamoyl]prop-2-enamide
CID 68946939
2-[(3,4-dihydroxyphenyl)methylidene]propanediamide
CID 3422644
2-[(4-chlorophenyl)methylsulfanyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 68946157
(Z)-2-[(4-chlorophenyl)methylsulfinyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 68945570
2-(3,4-dihydroxyphenyl)-N-(4-methoxyphenyl)-1-nitroethenesulfonamide
CID 68943988
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409
(E)-2-(aminomethyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 78319178
3-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfonyl]prop-2-enamide
CID 68949500
2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 4045786
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
(E)-1-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 14977361
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide (CID 68943332) is (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide is NC(=O)/C(=C/c1ccc(O)c(O)c1)S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The InChIKey is TWQQKVACWIIZPN-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-10-2-4-11(5-3-10)18-24(22,23)14(15(17)21)8-9-1-6-12(19)13(20)7-9/h1-8,18-20H,(H2,17,21)/b14-8-.
What are the key properties of (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide?
(Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide has a molecular weight of 368.80 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(4-chlorophenyl)sulfamoyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 68943332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).