5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide

C23H19ClN4O5S — CID 4843804

IUPAC5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C=Cc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc(C(N)=O)c1
InChIInChI=1S/C23H19ClN4O5S/c24-19-3-1-2-4-20(19)28-34(32,33)18-8-5-14(6-9-18)7-10-21(29)27-17-12-15(22(25)30)11-16(13-17)23(26)31/h1-13,28H,(H2,25,30)(H2,26,31)(H,27,29)
InChIKeyRVJSUUUVMUATFD-UHFFFAOYSA-N
MW498.95 g/mol
LogP2.99
Rot. Bonds8

About 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide

5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide (PubChem CID 4843804) has the molecular formula C23H19ClN4O5S and a molecular weight of 498.95 g/mol. Its IUPAC name is 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
PubChem CID4843804
Molecular FormulaC23H19ClN4O5S
Molecular Weight498.95 g/mol
Exact Mass498.08
IUPAC Name5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C=Cc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc(C(N)=O)c1
InChIInChI=1S/C23H19ClN4O5S/c24-19-3-1-2-4-20(19)28-34(32,33)18-8-5-14(6-9-18)7-10-21(29)27-17-12-15(22(25)30)11-16(13-17)23(26)31/h1-13,28H,(H2,25,30)(H2,26,31)(H,27,29)
InChIKeyRVJSUUUVMUATFD-UHFFFAOYSA-N
XLogP2.99
TPSA161.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783289
3-(1,3-benzodioxol-5-yl)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 3543061
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-ethylprop-2-enamide
CID 26637949
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 26591216
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
(E)-N-(2-chlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 55511273
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 3395431
propan-2-yl 2-[[(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoyl]amino]acetate
CID 56551023
(E)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 26796001
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide (CID 4843804) is 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)C=Cc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc(C(N)=O)c1.
What is the InChIKey of 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide?
The InChIKey is RVJSUUUVMUATFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5S/c24-19-3-1-2-4-20(19)28-34(32,33)18-8-5-14(6-9-18)7-10-21(29)27-17-12-15(22(25)30)11-16(13-17)23(26)31/h1-13,28H,(H2,25,30)(H2,26,31)(H,27,29).
What are the key properties of 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide?
5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide has a molecular weight of 498.95 g/mol, XLogP of 2.99, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enoylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 4843804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).