2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

C11H14ClF3N2O2S2 — CID 61052205

IUPAC2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17-8-4-2-3-7(5-8)11(13,14)15/h7-8,17H,2-5H2,1H3
InChIKeyDGAURQOSPXBRAQ-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61052205) has the molecular formula C11H14ClF3N2O2S2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
PubChem CID61052205
Molecular FormulaC11H14ClF3N2O2S2
Molecular Weight362.83 g/mol
Exact Mass362.01
IUPAC Name2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17-8-4-2-3-7(5-8)11(13,14)15/h7-8,17H,2-5H2,1H3
InChIKeyDGAURQOSPXBRAQ-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide (CID 61052205) is 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is DGAURQOSPXBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17-8-4-2-3-7(5-8)11(13,14)15/h7-8,17H,2-5H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 362.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61052205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).