2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide

C10H15ClN2O2S2 — CID 43455969

IUPAC2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-3-2-4-8(5-7)13-17(14,15)9-6-12-10(11)16-9/h6-8,13H,2-5H2,1H3
InChIKeyJKNMTYWIOVSCED-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43455969) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
PubChem CID43455969
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cnc(Cl)s2)C1
InChIInChI=1S/C10H15ClN2O2S2/c1-7-3-2-4-8(5-7)13-17(14,15)9-6-12-10(11)16-9/h6-8,13H,2-5H2,1H3
InChIKeyJKNMTYWIOVSCED-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide (CID 43455969) is 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide is CC1CCCC(NS(=O)(=O)c2cnc(Cl)s2)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JKNMTYWIOVSCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-7-3-2-4-8(5-7)13-17(14,15)9-6-12-10(11)16-9/h6-8,13H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 294.83 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylcyclohexyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).