2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H19ClN2O2S2 — CID 43456086

IUPAC2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H19ClN2O2S2/c1-7-5-4-6-10(8(7)2)15-19(16,17)11-9(3)14-12(13)18-11/h7-8,10,15H,4-6H2,1-3H3
InChIKeyGOULAVSRYWWAPB-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456086) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456086
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H19ClN2O2S2/c1-7-5-4-6-10(8(7)2)15-19(16,17)11-9(3)14-12(13)18-11/h7-8,10,15H,4-6H2,1-3H3
InChIKeyGOULAVSRYWWAPB-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

JAR-KUA-41bd5a3d-3
CID 156906226
2-chloro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61044799
2-chloro-4-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61047371
2-chloro-4-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-sulfonamide
CID 61052205
2-chloro-N-cyclohexyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415398
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415408
2-chloro-4-methyl-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43456048
2-chloro-4-methyl-N-(2-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43456094
2-chloro-N-cyclooctyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456149
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456155
2-chloro-4-methyl-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43456242
2-chloro-N-(cyclopentylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456086) is 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCCC(C)C1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is GOULAVSRYWWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-7-5-4-6-10(8(7)2)15-19(16,17)11-9(3)14-12(13)18-11/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).