2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide

C8H13ClN2O4S2 — CID 54999241

IUPAC2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O4S2/c1-11(4-6(12)5-15-2)17(13,14)7-3-10-8(9)16-7/h3,6,12H,4-5H2,1-2H3
InChIKeyXXRZFKCSKTYBJV-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.42
Rot. Bonds6

About 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 54999241) has the molecular formula C8H13ClN2O4S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID54999241
Molecular FormulaC8H13ClN2O4S2
Molecular Weight300.79 g/mol
Exact Mass300.00
IUPAC Name2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O4S2/c1-11(4-6(12)5-15-2)17(13,14)7-3-10-8(9)16-7/h3,6,12H,4-5H2,1-2H3
InChIKeyXXRZFKCSKTYBJV-UHFFFAOYSA-N
XLogP0.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide (CID 54999241) is 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is XXRZFKCSKTYBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O4S2/c1-11(4-6(12)5-15-2)17(13,14)7-3-10-8(9)16-7/h3,6,12H,4-5H2,1-2H3.
What are the key properties of 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 300.79 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 54999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).