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

C18H16FN3O3S2 — CID 37265916

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1
InChIInChI=1S/C18H16FN3O3S2/c1-20-27(24,25)16-7-5-13(6-8-16)17(23)22-18-21-11-15(26-18)10-12-3-2-4-14(19)9-12/h2-9,11,20H,10H2,1H3,(H,21,22,23)
InChIKeyNPPHWWPZJAFLJP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.03
Rot. Bonds6

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

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide (PubChem CID 37265916) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
PubChem CID37265916
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1
InChIInChI=1S/C18H16FN3O3S2/c1-20-27(24,25)16-7-5-13(6-8-16)17(23)22-18-21-11-15(26-18)10-12-3-2-4-14(19)9-12/h2-9,11,20H,10H2,1H3,(H,21,22,23)
InChIKeyNPPHWWPZJAFLJP-UHFFFAOYSA-N
XLogP3.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide (CID 37265916) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide?
The InChIKey is NPPHWWPZJAFLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-20-27(24,25)16-7-5-13(6-8-16)17(23)22-18-21-11-15(26-18)10-12-3-2-4-14(19)9-12/h2-9,11,20H,10H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 37265916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).