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

C9H13ClN2O3S2 — CID 61051756

IUPAC2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC(O)C1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-11-5-8(16-9)17(14,15)12-6-2-1-3-7(13)4-6/h5-7,12-13H,1-4H2
InChIKeyOEJVEMIWHXLDOH-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.38
Rot. Bonds3

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

2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61051756) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide
PubChem CID61051756
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NC1CCCC(O)C1)c1cnc(Cl)s1
InChIInChI=1S/C9H13ClN2O3S2/c10-9-11-5-8(16-9)17(14,15)12-6-2-1-3-7(13)4-6/h5-7,12-13H,1-4H2
InChIKeyOEJVEMIWHXLDOH-UHFFFAOYSA-N
XLogP1.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide (CID 61051756) is 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NC1CCCC(O)C1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is OEJVEMIWHXLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c10-9-11-5-8(16-9)17(14,15)12-6-2-1-3-7(13)4-6/h5-7,12-13H,1-4H2.
What are the key properties of 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 296.80 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxycyclohexyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).