2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

C10H12ClF3N2O2S2 — CID 61044798

IUPAC2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C10H12ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-4-2-1-3-6(7)10(12,13)14/h5-7,16H,1-4H2
InChIKeyVTJWTVRMYLJVDS-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61044798) has the molecular formula C10H12ClF3N2O2S2 and a molecular weight of 348.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
PubChem CID61044798
Molecular FormulaC10H12ClF3N2O2S2
Molecular Weight348.80 g/mol
Exact Mass348.00
IUPAC Name2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCCC1C(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C10H12ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-4-2-1-3-6(7)10(12,13)14/h5-7,16H,1-4H2
InChIKeyVTJWTVRMYLJVDS-UHFFFAOYSA-N
XLogP3.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (CID 61044798) is 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NC1CCCCC1C(F)(F)F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is VTJWTVRMYLJVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-4-2-1-3-6(7)10(12,13)14/h5-7,16H,1-4H2.
What are the key properties of 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 348.80 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61044798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).