2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C17H14ClN3O3S2 — CID 1245634

IUPAC2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H14ClN3O3S2/c18-15-4-2-1-3-12(15)11-16(22)20-13-5-7-14(8-6-13)26(23,24)21-17-19-9-10-25-17/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyJRSDGEBCMDJFKY-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.78
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1245634) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1245634
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC Name2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H14ClN3O3S2/c18-15-4-2-1-3-12(15)11-16(22)20-13-5-7-14(8-6-13)26(23,24)21-17-19-9-10-25-17/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyJRSDGEBCMDJFKY-UHFFFAOYSA-N
XLogP3.78
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 1245634) is 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JRSDGEBCMDJFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c18-15-4-2-1-3-12(15)11-16(22)20-13-5-7-14(8-6-13)26(23,24)21-17-19-9-10-25-17/h1-10H,11H2,(H,19,21)(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 407.90 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1245634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).