5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C17H14ClN3O4S2 — CID 1164417

IUPAC5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H14ClN3O4S2/c1-25-15-7-2-11(18)10-14(15)16(22)20-12-3-5-13(6-4-12)27(23,24)21-17-19-8-9-26-17/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyOTSZYYXGZAONFY-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.86
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1164417) has the molecular formula C17H14ClN3O4S2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1164417
Molecular FormulaC17H14ClN3O4S2
Molecular Weight423.90 g/mol
Exact Mass423.01
IUPAC Name5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H14ClN3O4S2/c1-25-15-7-2-11(18)10-14(15)16(22)20-12-3-5-13(6-4-12)27(23,24)21-17-19-8-9-26-17/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyOTSZYYXGZAONFY-UHFFFAOYSA-N
XLogP3.86
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1164417) is 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is OTSZYYXGZAONFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S2/c1-25-15-7-2-11(18)10-14(15)16(22)20-12-3-5-13(6-4-12)27(23,24)21-17-19-8-9-26-17/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 423.90 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1164417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).