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

C18H16ClN3O3S2 — CID 17178967

IUPAC3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16ClN3O3S2/c19-16-4-2-1-3-13(16)5-10-17(23)21-14-6-8-15(9-7-14)27(24,25)22-18-20-11-12-26-18/h1-4,6-9,11-12H,5,10H2,(H,20,22)(H,21,23)
InChIKeyIXLRJAJMBKKBBW-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.17
Rot. Bonds7

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

3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 17178967) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID17178967
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Name3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H16ClN3O3S2/c19-16-4-2-1-3-13(16)5-10-17(23)21-14-6-8-15(9-7-14)27(24,25)22-18-20-11-12-26-18/h1-4,6-9,11-12H,5,10H2,(H,20,22)(H,21,23)
InChIKeyIXLRJAJMBKKBBW-UHFFFAOYSA-N
XLogP4.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 17178967) is 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is IXLRJAJMBKKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c19-16-4-2-1-3-13(16)5-10-17(23)21-14-6-8-15(9-7-14)27(24,25)22-18-20-11-12-26-18/h1-4,6-9,11-12H,5,10H2,(H,20,22)(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 421.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17178967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).