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

C17H13ClFN3O3S2 — CID 25498562

IUPAC2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C17H13ClFN3O3S2/c18-15-6-5-13(27(20,24)25)8-14(15)16(23)22-17-21-9-12(26-17)7-10-1-3-11(19)4-2-10/h1-6,8-9H,7H2,(H2,20,24,25)(H,21,22,23)
InChIKeyIMLZIJCTBJJFIQ-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.43
Rot. Bonds5

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

2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide (PubChem CID 25498562) has the molecular formula C17H13ClFN3O3S2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide
PubChem CID25498562
Molecular FormulaC17H13ClFN3O3S2
Molecular Weight425.89 g/mol
Exact Mass425.01
IUPAC Name2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C17H13ClFN3O3S2/c18-15-6-5-13(27(20,24)25)8-14(15)16(23)22-17-21-9-12(26-17)7-10-1-3-11(19)4-2-10/h1-6,8-9H,7H2,(H2,20,24,25)(H,21,22,23)
InChIKeyIMLZIJCTBJJFIQ-UHFFFAOYSA-N
XLogP3.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide (CID 25498562) is 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1.
What is the InChIKey of 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide?
The InChIKey is IMLZIJCTBJJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S2/c18-15-6-5-13(27(20,24)25)8-14(15)16(23)22-17-21-9-12(26-17)7-10-1-3-11(19)4-2-10/h1-6,8-9H,7H2,(H2,20,24,25)(H,21,22,23).
What are the key properties of 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide?
2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide has a molecular weight of 425.89 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide is sourced from PubChem (CID 25498562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).