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

C11H17ClN2O3S2 — CID 65119726

IUPAC2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O3S2/c1-8-2-4-11(15,5-3-8)7-14-19(16,17)9-6-13-10(12)18-9/h6,8,14-15H,2-5,7H2,1H3
InChIKeyQUTMWOVKTZBGOF-UHFFFAOYSA-N
MW324.86 g/mol
LogP2.02
Rot. Bonds4

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

2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 65119726) has the molecular formula C11H17ClN2O3S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID65119726
Molecular FormulaC11H17ClN2O3S2
Molecular Weight324.86 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H17ClN2O3S2/c1-8-2-4-11(15,5-3-8)7-14-19(16,17)9-6-13-10(12)18-9/h6,8,14-15H,2-5,7H2,1H3
InChIKeyQUTMWOVKTZBGOF-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide (CID 65119726) is 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide is CC1CCC(O)(CNS(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is QUTMWOVKTZBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S2/c1-8-2-4-11(15,5-3-8)7-14-19(16,17)9-6-13-10(12)18-9/h6,8,14-15H,2-5,7H2,1H3.
What are the key properties of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 324.86 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 65119726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).