2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C17H13ClFN3O3S2 — CID 1094123

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13ClFN3O3S2/c18-14-2-1-3-15(19)13(14)10-16(23)21-11-4-6-12(7-5-11)27(24,25)22-17-20-8-9-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyDKVLHFHPCCUXTF-UHFFFAOYSA-N
MW425.89 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1094123) has the molecular formula C17H13ClFN3O3S2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1094123
Molecular FormulaC17H13ClFN3O3S2
Molecular Weight425.89 g/mol
Exact Mass425.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H13ClFN3O3S2/c18-14-2-1-3-15(19)13(14)10-16(23)21-11-4-6-12(7-5-11)27(24,25)22-17-20-8-9-26-17/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyDKVLHFHPCCUXTF-UHFFFAOYSA-N
XLogP3.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 1094123) is 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is DKVLHFHPCCUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3S2/c18-14-2-1-3-15(19)13(14)10-16(23)21-11-4-6-12(7-5-11)27(24,25)22-17-20-8-9-26-17/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 425.89 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1094123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).