4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

C24H19Cl3N4O3S — CID 3897124

IUPAC4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)ccc1Cl
InChIInChI=1S/C24H19Cl3N4O3S/c1-2-11-31(21-6-4-3-5-19(21)26)35(33,34)22-12-16(7-9-20(22)27)24(32)28-13-18-15-30-14-17(25)8-10-23(30)29-18/h2-10,12,14-15H,1,11,13H2,(H,28,32)
InChIKeyVWDPWYIYOPPYEY-UHFFFAOYSA-N
MW549.87 g/mol
LogP5.61
Rot. Bonds8

About 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 3897124) has the molecular formula C24H19Cl3N4O3S and a molecular weight of 549.87 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID3897124
Molecular FormulaC24H19Cl3N4O3S
Molecular Weight549.87 g/mol
Exact Mass548.02
IUPAC Name4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)ccc1Cl
InChIInChI=1S/C24H19Cl3N4O3S/c1-2-11-31(21-6-4-3-5-19(21)26)35(33,34)22-12-16(7-9-20(22)27)24(32)28-13-18-15-30-14-17(25)8-10-23(30)29-18/h2-10,12,14-15H,1,11,13H2,(H,28,32)
InChIKeyVWDPWYIYOPPYEY-UHFFFAOYSA-N
XLogP5.61
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (CID 3897124) is 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)NCc2cn3cc(Cl)ccc3n2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is VWDPWYIYOPPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N4O3S/c1-2-11-31(21-6-4-3-5-19(21)26)35(33,34)22-12-16(7-9-20(22)27)24(32)28-13-18-15-30-14-17(25)8-10-23(30)29-18/h2-10,12,14-15H,1,11,13H2,(H,28,32).
What are the key properties of 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 549.87 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 3897124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).