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

C11H17ClN2O2S2 — CID 54932939

IUPAC2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C11H17ClN2O2S2/c1-8-10(17-11(12)14-8)18(15,16)13-7-6-9-4-2-3-5-9/h9,13H,2-7H2,1H3
InChIKeyBQTGJSHHAAJEDU-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.96
Rot. Bonds5

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

2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 54932939) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID54932939
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC1CCCC1
InChIInChI=1S/C11H17ClN2O2S2/c1-8-10(17-11(12)14-8)18(15,16)13-7-6-9-4-2-3-5-9/h9,13H,2-7H2,1H3
InChIKeyBQTGJSHHAAJEDU-UHFFFAOYSA-N
XLogP2.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-4-methyl-N-(5,5,5-trifluoropentyl)-1,3-thiazole-5-sulfonamide
CID 115486666
2-chloro-N-cyclohexyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415398
2-chloro-4-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 43415405
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415408
2-chloro-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415421
2-chloro-4-methyl-N-(4-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 43456048
2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456068
2-chloro-4-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43456069
2-chloro-N-(2,3-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456086

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 54932939) is 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCC1CCCC1.
What is the InChIKey of 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is BQTGJSHHAAJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-8-10(17-11(12)14-8)18(15,16)13-7-6-9-4-2-3-5-9/h9,13H,2-7H2,1H3.
What are the key properties of 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopentylethyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54932939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).