N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

C11H15F2N3O3S2 — CID 119104734

IUPACN-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)NC2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H15F2N3O3S2/c1-7(17)15-10-14-6-9(20-10)21(18,19)16-8-2-4-11(12,13)5-3-8/h6,8,16H,2-5H2,1H3,(H,14,15,17)
InChIKeyHWYIQBLFWTYFNR-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.96
Rot. Bonds4

About N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 119104734) has the molecular formula C11H15F2N3O3S2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID119104734
Molecular FormulaC11H15F2N3O3S2
Molecular Weight339.39 g/mol
Exact Mass339.05
IUPAC NameN-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)NC2CCC(F)(F)CC2)s1
InChIInChI=1S/C11H15F2N3O3S2/c1-7(17)15-10-14-6-9(20-10)21(18,19)16-8-2-4-11(12,13)5-3-8/h6,8,16H,2-5H2,1H3,(H,14,15,17)
InChIKeyHWYIQBLFWTYFNR-UHFFFAOYSA-N
XLogP1.96
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 119104734) is N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)NC2CCC(F)(F)CC2)s1.
What is the InChIKey of N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HWYIQBLFWTYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3S2/c1-7(17)15-10-14-6-9(20-10)21(18,19)16-8-2-4-11(12,13)5-3-8/h6,8,16H,2-5H2,1H3,(H,14,15,17).
What are the key properties of N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,4-difluorocyclohexyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 119104734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).