4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide

C17H12Cl2FN3O3S2 — CID 140537424

IUPAC4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)c2ncc(Cl)s2)cc1
InChIInChI=1S/C17H12Cl2FN3O3S2/c18-13-7-10(1-6-14(13)20)9-23(17-22-8-15(19)27-17)28(25,26)12-4-2-11(3-5-12)16(21)24/h1-8H,9H2,(H2,21,24)
InChIKeyBKUDUEVIVCWBGP-UHFFFAOYSA-N
MW460.34 g/mol
LogP4.08
Rot. Bonds6

About 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide

4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide (PubChem CID 140537424) has the molecular formula C17H12Cl2FN3O3S2 and a molecular weight of 460.34 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide
PubChem CID140537424
Molecular FormulaC17H12Cl2FN3O3S2
Molecular Weight460.34 g/mol
Exact Mass458.97
IUPAC Name4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)c2ncc(Cl)s2)cc1
InChIInChI=1S/C17H12Cl2FN3O3S2/c18-13-7-10(1-6-14(13)20)9-23(17-22-8-15(19)27-17)28(25,26)12-4-2-11(3-5-12)16(21)24/h1-8H,9H2,(H2,21,24)
InChIKeyBKUDUEVIVCWBGP-UHFFFAOYSA-N
XLogP4.08
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide (CID 140537424) is 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(Cl)c2)c2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide?
The InChIKey is BKUDUEVIVCWBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3S2/c18-13-7-10(1-6-14(13)20)9-23(17-22-8-15(19)27-17)28(25,26)12-4-2-11(3-5-12)16(21)24/h1-8H,9H2,(H2,21,24).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide?
4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide has a molecular weight of 460.34 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 140537424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).